2-[5-(2-methylpropyl)-1,2-oxazol-3-yl]acetonitrile

2-[5-(2-methylpropyl)-1,2-oxazol-3-yl]acetonitrile

CAS: 1245772-96-6

Formula: C9H12N2O

SMILES: CC(C)CC1=CC(CC#N)=NO1

IUPAC: 2-[5-(2-methylpropyl)-1,2-oxazol-3-yl]acetonitrile

InChI: InChI=1S/C9H12N2O/c1-7(2)5-9-6-8(3-4-10)11-12-9/h6-7H,3,5H2,1-2H3

Composition: C (65.83%), H (7.37%), N (17.06%), O (9.74%)

Molar Mass: 164.208

Atom Count: 24

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	164.094963014
Formal Charge	0
FSP3	0.56
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	DXMYCSGKLRBQJY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.24
Topological Polar Surface Area	49.82
Polarizability	17.13
Ring Count	1
Rotatable Bond Count	3

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