2-Propyl-2-oxazoline

CAT: 0024-sc-473773Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-473773Size:1 g

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CAS Number

4694-80-8

Chemical Information

4,5-Dihydro-2-propyloxazole

CAS Number	4694-80-8
PubChem CID	78418
IUPAC Name	2-propyl-4,5-dihydro-1,3-oxazole
Molecular Formula	C6H11NO
Molecular Weight	113.16
XLogP	0.6
Topological Polar Surface Area	21.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	8
Formal Charge	0
Complexity	98

SMILES

CCCC1=NCCO1

InChI

InChI=1S/C6H11NO/c1-2-3-6-7-4-5-8-6/h2-5H2,1H3

InChIKey

GXCJLVVUIVSLOQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4694-80-8

CID: 78418

Formula: C6H11NO

MW: 113.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	113.16
XLogP3	0.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	113.084063974
Monoisotopic Mass	113.084063974
Topological Polar Surface Area	21.6 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	98.7
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
sc-223439	2-Ethyl-2-oxazoline
sc-230631	2-Phenyl-2-oxazoline
sc-223439A	2-Ethyl-2-oxazoline
sc-487384	2-Isopropyl-2-oxazoline
sc-238132	2-Methyl-2-oxazoline
sc-487280	2,2'-Bis (2-oxazoline)
sc-476715	2- (3-Pyridyl) -2-oxazoline
sc-471882	2-Amino-2-oxazoline Hydrochloride
sc-225695	2,4,4-Trimethyl-2-oxazoline
sc-219503	Oxazoline

Catalog	Name
OR925076-01	2-Propyl-2-oxazoline
OR4139-01	(-) (4S) -2-[2- (Diphenylphosphino) phenyl]-4- (2-propyl) oxazoline
OR1079785	ULTROXA (regR) Poly (2-propyl-2-oxazoline) (n=approx. 100)
RG-E141392-01	2-Ethoxy-2-oxazoline
FE01976-01	2-Ethyl-2-oxazoline
418464-01	2-Isopropenyl-2-oxazoline
16	2-methyl-2-oxazoline
OR323276-01	2-Isopropyl-2-oxazoline
OR924511-01	2,2'-Bis (2-oxazoline)
TRC-E588895-5G	2,2'-bis(2-Oxazoline)