1,3-oxazole-4-carbonitrile

1,3-oxazole-4-carbonitrile

CAS: 55242-84-7

Formula: C4H2N2O

SMILES: N#CC1=COC=N1

IUPAC: 1,3-oxazole-4-carbonitrile

InChI: InChI=1S/C4H2N2O/c5-1-4-2-7-3-6-4/h2-3H

Composition: C (51.07%), H (2.14%), N (29.78%), O (17.01%)

Molar Mass: 94.073

Atom Count: 9

Heavy Atom Count: 7

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	94.016712692
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	UEEBKQWDBWDPKD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	22.12
Topological Polar Surface Area	49.82
Polarizability	8.22
Ring Count	1
Rotatable Bond Count	0

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