[(S)-cyclohexyl-[(5R)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]methyl] acetate

C19H23NO4 — CID 134942848

IUPAC[(S)-cyclohexyl-[(5R)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]methyl] acetate
SMILESCC(=O)O[C@@H](C1CCCCC1)[C@@]1(C)OC(c2ccccc2)=NC1=O
InChIInChI=1S/C19H23NO4/c1-13(21)23-16(14-9-5-3-6-10-14)19(2)18(22)20-17(24-19)15-11-7-4-8-12-15/h4,7-8,11-12,14,16H,3,5-6,9-10H2,1-2H3/t16-,19+/m0/s1
InChIKeyHCLDKKHJDBDOHZ-QFBILLFUSA-N
MW329.40 g/mol
LogP3.26
Rot. Bonds4

About [(S)-cyclohexyl-[(5R)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]methyl] acetate

[(S)-cyclohexyl-[(5R)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]methyl] acetate (PubChem CID 134942848) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is [(S)-cyclohexyl-[(5R)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]methyl] acetate.

Molecular Properties

Compound Name[(S)-cyclohexyl-[(5R)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]methyl] acetate
PubChem CID134942848
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name[(S)-cyclohexyl-[(5R)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]methyl] acetate
SMILESCC(=O)O[C@@H](C1CCCCC1)[C@@]1(C)OC(c2ccccc2)=NC1=O
InChIInChI=1S/C19H23NO4/c1-13(21)23-16(14-9-5-3-6-10-14)19(2)18(22)20-17(24-19)15-11-7-4-8-12-15/h4,7-8,11-12,14,16H,3,5-6,9-10H2,1-2H3/t16-,19+/m0/s1
InChIKeyHCLDKKHJDBDOHZ-QFBILLFUSA-N
XLogP3.26
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(S)-cyclohexyl-[(5R)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]methyl] acetate with MolForge

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Related Compounds

methyl (4R,5R)-2,4-diphenyl-4,5-dihydrooxazole-5-carboxylate
CID 53739358
(5R)-5-cyclohexyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one
CID 11164252
5-(2-Methylpropyl)-2-phenyl-1,3-oxazol-4-one
CID 11447269
tert-butyl (4S)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate
CID 12110637
(5R)-5-[(1S)-1-(cyclohexen-1-yl)prop-2-enyl]-5-methyl-2-phenyl-1,3-oxazol-4-one
CID 12123228
[(E,1R)-1-[(4S)-4-benzyl-5-oxo-2-phenyl-1,3-oxazol-4-yl]-3-phenylprop-2-enyl] acetate
CID 15342904
[(1S)-2-methyl-1-[(5R)-4-oxo-2-phenyl-5-prop-2-enyl-1,3-oxazol-5-yl]propyl] acetate
CID 46221328
5-Butyl-2-phenyl-1,3-oxazol-4-one
CID 85951550
[2-[[Methoxy(phenyl)methylidene]amino]-2-oxo-1-phenylethyl] acetate
CID 86039750
(5R)-5-butyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one
CID 101340931
[(1S)-1-[(5R)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]hexyl] acetate
CID 101562438
tert-butyl (4R)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate
CID 102395525

Frequently Asked Questions

What is the IUPAC name of [(S)-cyclohexyl-[(5R)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]methyl] acetate?
The IUPAC name of [(S)-cyclohexyl-[(5R)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]methyl] acetate (CID 134942848) is [(S)-cyclohexyl-[(5R)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]methyl] acetate.
What is the SMILES notation for [(S)-cyclohexyl-[(5R)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]methyl] acetate?
The canonical SMILES for [(S)-cyclohexyl-[(5R)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]methyl] acetate is CC(=O)O[C@@H](C1CCCCC1)[C@@]1(C)OC(c2ccccc2)=NC1=O.
What is the InChIKey of [(S)-cyclohexyl-[(5R)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]methyl] acetate?
The InChIKey is HCLDKKHJDBDOHZ-QFBILLFUSA-N. The full InChI is InChI=1S/C19H23NO4/c1-13(21)23-16(14-9-5-3-6-10-14)19(2)18(22)20-17(24-19)15-11-7-4-8-12-15/h4,7-8,11-12,14,16H,3,5-6,9-10H2,1-2H3/t16-,19+/m0/s1.
What are the key properties of [(S)-cyclohexyl-[(5R)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]methyl] acetate?
[(S)-cyclohexyl-[(5R)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]methyl] acetate has a molecular weight of 329.40 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(S)-cyclohexyl-[(5R)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]methyl] acetate is sourced from PubChem (CID 134942848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).