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

C17H21NO4 — CID 135006196

IUPAC[(1S)-3-methyl-1-[(5R)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]butyl] acetate
SMILESCC(=O)O[C@@H](CC(C)C)[C@@]1(C)OC(c2ccccc2)=NC1=O
InChIInChI=1S/C17H21NO4/c1-11(2)10-14(21-12(3)19)17(4)16(20)18-15(22-17)13-8-6-5-7-9-13/h5-9,11,14H,10H2,1-4H3/t14-,17+/m0/s1
InChIKeyFDSATUBSOASCLM-WMLDXEAASA-N
MW303.36 g/mol
LogP2.73
Rot. Bonds5

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

[(1S)-3-methyl-1-[(5R)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]butyl] acetate (PubChem CID 135006196) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is [(1S)-3-methyl-1-[(5R)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]butyl] acetate.

Molecular Properties

Compound Name[(1S)-3-methyl-1-[(5R)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]butyl] acetate
PubChem CID135006196
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name[(1S)-3-methyl-1-[(5R)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]butyl] acetate
SMILESCC(=O)O[C@@H](CC(C)C)[C@@]1(C)OC(c2ccccc2)=NC1=O
InChIInChI=1S/C17H21NO4/c1-11(2)10-14(21-12(3)19)17(4)16(20)18-15(22-17)13-8-6-5-7-9-13/h5-9,11,14H,10H2,1-4H3/t14-,17+/m0/s1
InChIKeyFDSATUBSOASCLM-WMLDXEAASA-N
XLogP2.73
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(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
2-Phenyl-5-propan-2-yl-1,3-oxazol-4-one
CID 85951552
[1-[[Methoxy(phenyl)methylidene]amino]-1-oxopropan-2-yl] acetate
CID 85993666
[2-[[Methoxy(phenyl)methylidene]amino]-2-oxo-1-phenylethyl] acetate
CID 86039750
[(1S)-1-[(5R)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]hexyl] acetate
CID 101562438

Frequently Asked Questions

What is the IUPAC name of [(1S)-3-methyl-1-[(5R)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]butyl] acetate?
The IUPAC name of [(1S)-3-methyl-1-[(5R)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]butyl] acetate (CID 135006196) is [(1S)-3-methyl-1-[(5R)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]butyl] acetate.
What is the SMILES notation for [(1S)-3-methyl-1-[(5R)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]butyl] acetate?
The canonical SMILES for [(1S)-3-methyl-1-[(5R)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]butyl] acetate is CC(=O)O[C@@H](CC(C)C)[C@@]1(C)OC(c2ccccc2)=NC1=O.
What is the InChIKey of [(1S)-3-methyl-1-[(5R)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]butyl] acetate?
The InChIKey is FDSATUBSOASCLM-WMLDXEAASA-N. The full InChI is InChI=1S/C17H21NO4/c1-11(2)10-14(21-12(3)19)17(4)16(20)18-15(22-17)13-8-6-5-7-9-13/h5-9,11,14H,10H2,1-4H3/t14-,17+/m0/s1.
What are the key properties of [(1S)-3-methyl-1-[(5R)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]butyl] acetate?
[(1S)-3-methyl-1-[(5R)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]butyl] acetate has a molecular weight of 303.36 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-3-methyl-1-[(5R)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]butyl] acetate is sourced from PubChem (CID 135006196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).