(4S)-4-(3-oxobutyl)-3,4-diphenyl-1,2-oxazol-5-one

C19H17NO3 — CID 134951334

IUPAC(4S)-4-(3-oxobutyl)-3,4-diphenyl-1,2-oxazol-5-one
SMILESCC(=O)CC[C@@]1(c2ccccc2)C(=O)ON=C1c1ccccc1
InChIInChI=1S/C19H17NO3/c1-14(21)12-13-19(16-10-6-3-7-11-16)17(20-23-18(19)22)15-8-4-2-5-9-15/h2-11H,12-13H2,1H3/t19-/m0/s1
InChIKeyWQMXKUFLYMZOCH-IBGZPJMESA-N
MW307.35 g/mol
LogP3.25
Rot. Bonds5

About (4S)-4-(3-oxobutyl)-3,4-diphenyl-1,2-oxazol-5-one

(4S)-4-(3-oxobutyl)-3,4-diphenyl-1,2-oxazol-5-one (PubChem CID 134951334) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is (4S)-4-(3-oxobutyl)-3,4-diphenyl-1,2-oxazol-5-one.

Molecular Properties

Compound Name(4S)-4-(3-oxobutyl)-3,4-diphenyl-1,2-oxazol-5-one
PubChem CID134951334
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name(4S)-4-(3-oxobutyl)-3,4-diphenyl-1,2-oxazol-5-one
SMILESCC(=O)CC[C@@]1(c2ccccc2)C(=O)ON=C1c1ccccc1
InChIInChI=1S/C19H17NO3/c1-14(21)12-13-19(16-10-6-3-7-11-16)17(20-23-18(19)22)15-8-4-2-5-9-15/h2-11H,12-13H2,1H3/t19-/m0/s1
InChIKeyWQMXKUFLYMZOCH-IBGZPJMESA-N
XLogP3.25
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_2', 'substructure': 'N/A'}

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Related Compounds

[(Z)-1-phenylethylideneamino] 2-phenylcyclopropane-1-carboxylate
CID 5372801
3-Phenyl-4,4-dimethyl-isoxazol-5(4H)-one
CID 583156
2-[3-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenyl]propanoic acid
CID 11851123
3,4-diphenyl-5(4H)-isoxazolone
CID 12486396
4-Fluoro-3,4-diphenyl-1,2-oxazol-5-one
CID 176438624
4-(4-fluorophenyl)-3-phenyl-4H-1,2-oxazol-5-one
CID 176438628
4-Fluoro-4-(4-fluorophenyl)-3-phenyl-1,2-oxazol-5-one
CID 176438629
(4R)-4-benzyl-4-fluoro-3-phenyl-1,2-oxazol-5-one
CID 176438810
4-Allyl-3-methyl-4-phenylisoxazolin-5-one
CID 102228138
[(Z)-(2,2,5-trimethyl-1-phenylhexa-3,4-dienylidene)amino] benzoate
CID 10882182
5(4H)-Isoxazolone, 3-phenyl-4-(phenylmethyl)-
CID 11207469
4-Phenyl-2-oxa-3-azaspiro[4.5]dec-3-ene-1,8-dione
CID 11708553

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-oxobutyl)-3,4-diphenyl-1,2-oxazol-5-one?
The IUPAC name of (4S)-4-(3-oxobutyl)-3,4-diphenyl-1,2-oxazol-5-one (CID 134951334) is (4S)-4-(3-oxobutyl)-3,4-diphenyl-1,2-oxazol-5-one.
What is the SMILES notation for (4S)-4-(3-oxobutyl)-3,4-diphenyl-1,2-oxazol-5-one?
The canonical SMILES for (4S)-4-(3-oxobutyl)-3,4-diphenyl-1,2-oxazol-5-one is CC(=O)CC[C@@]1(c2ccccc2)C(=O)ON=C1c1ccccc1.
What is the InChIKey of (4S)-4-(3-oxobutyl)-3,4-diphenyl-1,2-oxazol-5-one?
The InChIKey is WQMXKUFLYMZOCH-IBGZPJMESA-N. The full InChI is InChI=1S/C19H17NO3/c1-14(21)12-13-19(16-10-6-3-7-11-16)17(20-23-18(19)22)15-8-4-2-5-9-15/h2-11H,12-13H2,1H3/t19-/m0/s1.
What are the key properties of (4S)-4-(3-oxobutyl)-3,4-diphenyl-1,2-oxazol-5-one?
(4S)-4-(3-oxobutyl)-3,4-diphenyl-1,2-oxazol-5-one has a molecular weight of 307.35 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3-oxobutyl)-3,4-diphenyl-1,2-oxazol-5-one is sourced from PubChem (CID 134951334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).