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(4S,5S)-2,4-diphenyl-4,5-dihydro-1,3-oxazole-5-carboxylic acid

(4S,5S)-2,4-diphenyl-4,5-dihydro-1,3-oxazole-5-carboxylic acid

CAS: 235432-37-8

Formula: C16H13NO3

SMILES: OC(=O)[C@H]1OC(=N[C@H]1C1=CC=CC=C1)C1=CC=CC=C1

IUPAC: (4S,5S)-2,4-diphenyl-4,5-dihydro-1,3-oxazole-5-carboxylic acid

InChI: InChI=1S/C16H13NO3/c18-16(19)14-13(11-7-3-1-4-8-11)17-15(20-14)12-9-5-2-6-10-12/h1-10,13-14H,(H,18,19)/t13-,14+/m0/s1

Composition: C (71.90%), H (4.90%), N (5.24%), O (17.96%)

Molar Mass: 267.284

Atom Count: 33

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 267.089543283
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey BPBOFBFRBITMMR-KBPBESRZSA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.45
Topological Polar Surface Area 58.89
Polarizability 28.47
Ring Count 3
Rotatable Bond Count 3

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95% <5 Days 235432-37-8 $370.00$370.00
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