2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]quinoline

2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]quinoline

CAS: 226387-12-8

Formula: C16H18N2O

SMILES: CC(C)(C)[C@H]1COC(=N1)C1=NC2=CC=CC=C2C=C1

IUPAC: 2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]quinoline

InChI: InChI=1S/C16H18N2O/c1-16(2,3)14-10-19-15(18-14)13-9-8-11-6-4-5-7-12(11)17-13/h4-9,14H,10H2,1-3H3/t14-/m1/s1

Composition: C (75.56%), H (7.13%), N (11.01%), O (6.29%)

Molar Mass: 254.333

Atom Count: 37

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	254.141913208
Formal Charge	0
FSP3	0.37
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	ZECIAWBAXVMXKI-CQSZACIVSA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.7
Topological Polar Surface Area	34.48
Polarizability	30.56
Ring Count	3
Rotatable Bond Count	2

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