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

C19H25NO4 — CID 135006201

IUPAC[(1S)-3-methyl-1-[(5R)-4-oxo-2-phenyl-5-propan-2-yl-1,3-oxazol-5-yl]butyl] acetate
SMILESCC(=O)O[C@@H](CC(C)C)[C@@]1(C(C)C)OC(c2ccccc2)=NC1=O
InChIInChI=1S/C19H25NO4/c1-12(2)11-16(23-14(5)21)19(13(3)4)18(22)20-17(24-19)15-9-7-6-8-10-15/h6-10,12-13,16H,11H2,1-5H3/t16-,19+/m0/s1
InChIKeyDJIINRHBAJMCMR-QFBILLFUSA-N
MW331.41 g/mol
LogP3.36
Rot. Bonds6

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

[(1S)-3-methyl-1-[(5R)-4-oxo-2-phenyl-5-propan-2-yl-1,3-oxazol-5-yl]butyl] acetate (PubChem CID 135006201) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is [(1S)-3-methyl-1-[(5R)-4-oxo-2-phenyl-5-propan-2-yl-1,3-oxazol-5-yl]butyl] acetate.

Molecular Properties

Compound Name[(1S)-3-methyl-1-[(5R)-4-oxo-2-phenyl-5-propan-2-yl-1,3-oxazol-5-yl]butyl] acetate
PubChem CID135006201
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name[(1S)-3-methyl-1-[(5R)-4-oxo-2-phenyl-5-propan-2-yl-1,3-oxazol-5-yl]butyl] acetate
SMILESCC(=O)O[C@@H](CC(C)C)[C@@]1(C(C)C)OC(c2ccccc2)=NC1=O
InChIInChI=1S/C19H25NO4/c1-12(2)11-16(23-14(5)21)19(13(3)4)18(22)20-17(24-19)15-9-7-6-8-10-15/h6-10,12-13,16H,11H2,1-5H3/t16-,19+/m0/s1
InChIKeyDJIINRHBAJMCMR-QFBILLFUSA-N
XLogP3.36
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

(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
[(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
(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
cis-2-Phenyl-4-tridecyl-5-carbomethoxy-2-oxazoline
CID 129727434
[(S)-cyclohexyl-[(5R)-5-methyl-4-oxo-2-phenyl-1,3-oxazol-5-yl]methyl] acetate
CID 134942848

Frequently Asked Questions

What is the IUPAC name of [(1S)-3-methyl-1-[(5R)-4-oxo-2-phenyl-5-propan-2-yl-1,3-oxazol-5-yl]butyl] acetate?
The IUPAC name of [(1S)-3-methyl-1-[(5R)-4-oxo-2-phenyl-5-propan-2-yl-1,3-oxazol-5-yl]butyl] acetate (CID 135006201) is [(1S)-3-methyl-1-[(5R)-4-oxo-2-phenyl-5-propan-2-yl-1,3-oxazol-5-yl]butyl] acetate.
What is the SMILES notation for [(1S)-3-methyl-1-[(5R)-4-oxo-2-phenyl-5-propan-2-yl-1,3-oxazol-5-yl]butyl] acetate?
The canonical SMILES for [(1S)-3-methyl-1-[(5R)-4-oxo-2-phenyl-5-propan-2-yl-1,3-oxazol-5-yl]butyl] acetate is CC(=O)O[C@@H](CC(C)C)[C@@]1(C(C)C)OC(c2ccccc2)=NC1=O.
What is the InChIKey of [(1S)-3-methyl-1-[(5R)-4-oxo-2-phenyl-5-propan-2-yl-1,3-oxazol-5-yl]butyl] acetate?
The InChIKey is DJIINRHBAJMCMR-QFBILLFUSA-N. The full InChI is InChI=1S/C19H25NO4/c1-12(2)11-16(23-14(5)21)19(13(3)4)18(22)20-17(24-19)15-9-7-6-8-10-15/h6-10,12-13,16H,11H2,1-5H3/t16-,19+/m0/s1.
What are the key properties of [(1S)-3-methyl-1-[(5R)-4-oxo-2-phenyl-5-propan-2-yl-1,3-oxazol-5-yl]butyl] acetate?
[(1S)-3-methyl-1-[(5R)-4-oxo-2-phenyl-5-propan-2-yl-1,3-oxazol-5-yl]butyl] acetate has a molecular weight of 331.41 g/mol, XLogP of 3.36, 6 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)-4-oxo-2-phenyl-5-propan-2-yl-1,3-oxazol-5-yl]butyl] acetate is sourced from PubChem (CID 135006201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).