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

C16H19NO4 — CID 134997817

IUPAC[(1S)-2-methyl-1-[(5R)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]propyl] acetate
SMILESCC(=O)O[C@@H](C(C)C)[C@@]1(C)OC(c2ccccc2)=NC1=O
InChIInChI=1S/C16H19NO4/c1-10(2)13(20-11(3)18)16(4)15(19)17-14(21-16)12-8-6-5-7-9-12/h5-10,13H,1-4H3/t13-,16+/m0/s1
InChIKeyWJHRRICBQYIJKX-XJKSGUPXSA-N
MW289.33 g/mol
LogP2.34
Rot. Bonds4

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

[(1S)-2-methyl-1-[(5R)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]propyl] acetate (PubChem CID 134997817) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is [(1S)-2-methyl-1-[(5R)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]propyl] acetate.

Molecular Properties

Compound Name[(1S)-2-methyl-1-[(5R)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]propyl] acetate
PubChem CID134997817
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name[(1S)-2-methyl-1-[(5R)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]propyl] acetate
SMILESCC(=O)O[C@@H](C(C)C)[C@@]1(C)OC(c2ccccc2)=NC1=O
InChIInChI=1S/C16H19NO4/c1-10(2)13(20-11(3)18)16(4)15(19)17-14(21-16)12-8-6-5-7-9-12/h5-10,13H,1-4H3/t13-,16+/m0/s1
InChIKeyWJHRRICBQYIJKX-XJKSGUPXSA-N
XLogP2.34
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

methyl (4S,5R)-2-phenyl-5-propan-2-yl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 25229394
(4s,5s)-2-Phenyl-4-(methoxycarbonyl)-5-isopropyloxazoline
CID 398460
methyl (4R,5S)-2-phenyl-5-propan-2-yl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 11032196
5-Methyl-2-phenyl-1,3-oxazol-4-one
CID 11788573
[(E,1R)-1-[(4S)-4-(2-methylpropyl)-5-oxo-2-phenyl-1,3-oxazol-4-yl]-3-phenylprop-2-enyl] acetate
CID 10927275
[(E,1S)-1-[(4S)-4-(2-methylpropyl)-5-oxo-2-phenyl-1,3-oxazol-4-yl]-3-phenylprop-2-enyl] acetate
CID 11101230
(5R)-5-methyl-5-[(3S)-5-methylhexa-1,4-dien-3-yl]-2-phenyl-1,3-oxazol-4-one
CID 11231005
5-(2-Methylpropyl)-2-phenyl-1,3-oxazol-4-one
CID 11447269
(5R)-5-[(1S)-1-(cyclohexen-1-yl)prop-2-enyl]-5-methyl-2-phenyl-1,3-oxazol-4-one
CID 12123228
2-Phenyl-5-prop-2-enyl-1,3-oxazol-4-one
CID 46221327
[(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

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-methyl-1-[(5R)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]propyl] acetate?
The IUPAC name of [(1S)-2-methyl-1-[(5R)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]propyl] acetate (CID 134997817) is [(1S)-2-methyl-1-[(5R)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]propyl] acetate.
What is the SMILES notation for [(1S)-2-methyl-1-[(5R)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]propyl] acetate?
The canonical SMILES for [(1S)-2-methyl-1-[(5R)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]propyl] acetate is CC(=O)O[C@@H](C(C)C)[C@@]1(C)OC(c2ccccc2)=NC1=O.
What is the InChIKey of [(1S)-2-methyl-1-[(5R)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]propyl] acetate?
The InChIKey is WJHRRICBQYIJKX-XJKSGUPXSA-N. The full InChI is InChI=1S/C16H19NO4/c1-10(2)13(20-11(3)18)16(4)15(19)17-14(21-16)12-8-6-5-7-9-12/h5-10,13H,1-4H3/t13-,16+/m0/s1.
What are the key properties of [(1S)-2-methyl-1-[(5R)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]propyl] acetate?
[(1S)-2-methyl-1-[(5R)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]propyl] acetate has a molecular weight of 289.33 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-methyl-1-[(5R)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]propyl] acetate is sourced from PubChem (CID 134997817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).