Products for Research Use Only
RegisterLogin

Compound 111628-39-8

CAT: 0931-TPL0024-01Size: 200 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-TPL0024-01Size:200 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
111628-39-8
Purity
0.9942
Bioactivity
Compound 111628-39-8, with CAS No. 111628-39-8, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound 111628-39-8 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
C1CN(CCN1)C1=NC2=CC=CC=C2O1
Molecular Formula
C11H13N3O
Molecular Weight
203.245
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-(Piperazin-1-yl)-1,3-benzoxazole
CAS Number111628-39-8
PubChem CID647818
IUPAC Name2-piperazin-1-yl-1,3-benzoxazole
Molecular FormulaC11H13N3O
Molecular Weight203.24
XLogP1.7
Topological Polar Surface Area41.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity218
SMILES
C1CN(CCN1)C2=NC3=CC=CC=C3O2
InChI
InChI=1S/C11H13N3O/c1-2-4-10-9(3-1)13-11(15-10)14-7-5-12-6-8-14/h1-4,12H,5-8H2
InChIKey
HLKHIJZYKGDCJM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Piperazin-1-yl)-1,3-benzoxazole
CAS: 111628-39-8
CID: 647818
Formula: C11H13N3O
MW: 203.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight203.24
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass203.105862047
Monoisotopic Mass203.105862047
Topological Polar Surface Area41.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity218
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TPL0080-01Compound 156496-39-8
TPL0311-01Compound 73930-39-9
TPL0301-01Compound 78470-95-8
TPL0071-01Compound 1060815-90-8
TPL0039-01Compound 17899-48-8
TPL0027-01Compound 199330-64-8
TPL0227-01Compound 1251015-03-8
TPL0134-01Compound 17965-71-8
TPL0093-01Compound 103646-82-8
TPL0169-01Compound 69627-03-8

Alternative Products

CatalogName
GTR19269261New compound 39
AR-T02488-01Tofacitinib Related Compound 39
AR-T02094-01Ticagrelor Related Compound 39
HY-P11227Compound 19A8.8
M45003APHA Compound 8
GTR19164384New compound 8
GTR19254329-01Compound 69627-03-8
AR-L01616-01Levothyroxine Related Compound 8
AR-I03524-01Indazole Related Compound 8
AR-T02433-01Tofacitinib Related Compound 8

Popular Products