4-ethynyl-3,5-dimethyl-1,2-oxazole

4-ethynyl-3,5-dimethyl-1,2-oxazole

CAS: 668970-91-0

Formula: C7H7NO

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

IUPAC: 4-ethynyl-3,5-dimethyl-1,2-oxazole

InChI: InChI=1S/C7H7NO/c1-4-7-5(2)8-9-6(7)3/h1H,2-3H3

Composition: C (69.41%), H (5.82%), N (11.56%), O (13.21%)

Molar Mass: 121.139

Atom Count: 16

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	121.052763849
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	VRIFFHHNSRUZNX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	32.41
Topological Polar Surface Area	26.03
Polarizability	12.42
Ring Count	1
Rotatable Bond Count	0

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