3-ethyl-1,2-oxazole-5-carbonitrile

3-ethyl-1,2-oxazole-5-carbonitrile

CAS: 1215295-98-9

Formula: C6H6N2O

SMILES: CCC1=NOC(=C1)C#N

IUPAC: 3-ethyl-1,2-oxazole-5-carbonitrile

InChI: InChI=1S/C6H6N2O/c1-2-5-3-6(4-7)9-8-5/h3H,2H2,1H3

Composition: C (59.01%), H (4.95%), N (22.94%), O (13.10%)

Molar Mass: 122.127

Atom Count: 15

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	122.048012821
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	JDLXCIXVOCNMRJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	32.32
Topological Polar Surface Area	49.82
Polarizability	11.79
Ring Count	1
Rotatable Bond Count	1

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