CYM5181

CAT: 0127-BUP12382-04Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP12382-04Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

695155-81-8

Synonyms

CYM 5181, CYM-5181

Purity

=98%

Smiles

CCOC1=C(OCC)C=C(C=C1)C1=NC(=NO1)C1=CC=NC=C1

Chemical Information

Cym5181

5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole is a ring assembly and an oxadiazole.

CAS Number	695155-81-8
PubChem CID	976135
IUPAC Name	5-(3,4-diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
Molecular Formula	C17H17N3O3
Molecular Weight	311.33
XLogP	3.1
Topological Polar Surface Area	70.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	23
Formal Charge	0
Complexity	352

SMILES

CCOC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC=NC=C3)OCC

InChI

InChI=1S/C17H17N3O3/c1-3-21-14-6-5-13(11-15(14)22-4-2)17-19-16(20-23-17)12-7-9-18-10-8-12/h5-11H,3-4H2,1-2H3

InChIKey

MMKXHTDCKLZHIM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 695155-81-8

CID: 976135

Formula: C17H17N3O3

MW: 311.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	311.33
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	311.12699141
Monoisotopic Mass	311.12699141
Topological Polar Surface Area	70.3 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	352
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
M34562-01	CYM5181