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

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

CAS: 100703-81-9

Formula: C5H4N2O

SMILES: CC1=NC=C(O1)C#N

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

InChI: InChI=1S/C5H4N2O/c1-4-7-3-5(2-6)8-4/h3H,1H3

Composition: C (55.56%), H (3.73%), N (25.91%), O (14.80%)

Molar Mass: 108.1

Atom Count: 12

Heavy Atom Count: 8

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 108.032362757
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey BZAXQZSUBXXBPH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 26.81
Topological Polar Surface Area 49.82
Polarizability 9.97
Ring Count 1
Rotatable Bond Count 0

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