2-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-3-(4-methoxyphenyl)prop-2-enenitrile

2-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-3-(4-methoxyphenyl)prop-2-enenitrile

CAS: 866041-97-6

Formula: C16H18N2O3

SMILES: COC1=CC=C(C=C(C#N)C(=O)N2COCC2(C)C)C=C1

IUPAC: 2-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-3-(4-methoxyphenyl)prop-2-enenitrile

InChI: InChI=1S/C16H18N2O3/c1-16(2)10-21-11-18(16)15(19)13(9-17)8-12-4-6-14(20-3)7-5-12/h4-8H,10-11H2,1-3H3

Composition: C (67.12%), H (6.34%), N (9.78%), O (16.76%)

Molar Mass: 286.331

Atom Count: 39

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	286.131742448
Formal Charge	0
FSP3	0.37
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	LUXHUXBAYGFUNG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	79.13
Topological Polar Surface Area	62.56
Polarizability	30.2
Ring Count	2
Rotatable Bond Count	3

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90%	<2 Days	866041-97-6		$51.35-$524.40$51.35$63.37$86.31$524.40