methyl 3-[(4R)-2-methyl-5-oxo-4-[(1R)-3-oxo-1-phenylbutyl]-1,3-oxazol-4-yl]propanoate

C18H21NO5 — CID 71517997

IUPACmethyl 3-[(4R)-2-methyl-5-oxo-4-[(1R)-3-oxo-1-phenylbutyl]-1,3-oxazol-4-yl]propanoate
SMILESCOC(=O)CC[C@]1([C@H](CC(C)=O)c2ccccc2)N=C(C)OC1=O
InChIInChI=1S/C18H21NO5/c1-12(20)11-15(14-7-5-4-6-8-14)18(10-9-16(21)23-3)17(22)24-13(2)19-18/h4-8,15H,9-11H2,1-3H3/t15-,18-/m1/s1
InChIKeyIIYPTFHLTOANIG-CRAIPNDOSA-N
MW331.37 g/mol
LogP2.42
Rot. Bonds7

About methyl 3-[(4R)-2-methyl-5-oxo-4-[(1R)-3-oxo-1-phenylbutyl]-1,3-oxazol-4-yl]propanoate

methyl 3-[(4R)-2-methyl-5-oxo-4-[(1R)-3-oxo-1-phenylbutyl]-1,3-oxazol-4-yl]propanoate (PubChem CID 71517997) has the molecular formula C18H21NO5 and a molecular weight of 331.37 g/mol. Its IUPAC name is methyl 3-[(4R)-2-methyl-5-oxo-4-[(1R)-3-oxo-1-phenylbutyl]-1,3-oxazol-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(4R)-2-methyl-5-oxo-4-[(1R)-3-oxo-1-phenylbutyl]-1,3-oxazol-4-yl]propanoate
PubChem CID71517997
Molecular FormulaC18H21NO5
Molecular Weight331.37 g/mol
Exact Mass331.14
IUPAC Namemethyl 3-[(4R)-2-methyl-5-oxo-4-[(1R)-3-oxo-1-phenylbutyl]-1,3-oxazol-4-yl]propanoate
SMILESCOC(=O)CC[C@]1([C@H](CC(C)=O)c2ccccc2)N=C(C)OC1=O
InChIInChI=1S/C18H21NO5/c1-12(20)11-15(14-7-5-4-6-8-14)18(10-9-16(21)23-3)17(22)24-13(2)19-18/h4-8,15H,9-11H2,1-3H3/t15-,18-/m1/s1
InChIKeyIIYPTFHLTOANIG-CRAIPNDOSA-N
XLogP2.42
TPSA82.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(4R)-2-methyl-5-oxo-4-[(1R)-3-oxo-1-phenylbutyl]-1,3-oxazol-4-yl]propanoate with MolForge

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Related Compounds

methyl (3R)-3-[(4S)-4-benzyl-5-oxo-2-phenyl-1,3-oxazol-4-yl]-3-phenylpropanoate
CID 122221428
dimethyl (3R,4R)-3,4-diphenylhexanedioate
CID 10969442
methyl (3S)-3-(4-methoxyphenyl)-3-phenylpropanoate
CID 134965407
methyl 3-[4-[amino(phenyl)methyl]phenyl]propanoate
CID 10635677
2-bromo-2-[(1R)-3-oxo-1-phenylbutyl]indene-1,3-dione
CID 30619127
(3S)-5-methoxy-5-oxo-3-phenylpentanoic acid
CID 71352827
methyl 5,5-diphenylpentanoate
CID 10923549
(4S)-4-hydroxy-4-phenylbutan-2-one
CID 10888260
methyl 4,4-difluoro-3-phenyl-4-trimethylsilylbutanoate
CID 122229851
methyl (5S)-5-hydroxy-5-phenylpentanoate
CID 25209922
methyl 5-hydroxy-3-oxo-5-phenylpentanoate
CID 11020460
methyl 3-[(4R,5R)-2-methyl-4,5-diphenyl-1,3-dioxolan-2-yl]propanoate
CID 10711237

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4R)-2-methyl-5-oxo-4-[(1R)-3-oxo-1-phenylbutyl]-1,3-oxazol-4-yl]propanoate?
The IUPAC name of methyl 3-[(4R)-2-methyl-5-oxo-4-[(1R)-3-oxo-1-phenylbutyl]-1,3-oxazol-4-yl]propanoate (CID 71517997) is methyl 3-[(4R)-2-methyl-5-oxo-4-[(1R)-3-oxo-1-phenylbutyl]-1,3-oxazol-4-yl]propanoate.
What is the SMILES notation for methyl 3-[(4R)-2-methyl-5-oxo-4-[(1R)-3-oxo-1-phenylbutyl]-1,3-oxazol-4-yl]propanoate?
The canonical SMILES for methyl 3-[(4R)-2-methyl-5-oxo-4-[(1R)-3-oxo-1-phenylbutyl]-1,3-oxazol-4-yl]propanoate is COC(=O)CC[C@]1([C@H](CC(C)=O)c2ccccc2)N=C(C)OC1=O.
What is the InChIKey of methyl 3-[(4R)-2-methyl-5-oxo-4-[(1R)-3-oxo-1-phenylbutyl]-1,3-oxazol-4-yl]propanoate?
The InChIKey is IIYPTFHLTOANIG-CRAIPNDOSA-N. The full InChI is InChI=1S/C18H21NO5/c1-12(20)11-15(14-7-5-4-6-8-14)18(10-9-16(21)23-3)17(22)24-13(2)19-18/h4-8,15H,9-11H2,1-3H3/t15-,18-/m1/s1.
What are the key properties of methyl 3-[(4R)-2-methyl-5-oxo-4-[(1R)-3-oxo-1-phenylbutyl]-1,3-oxazol-4-yl]propanoate?
methyl 3-[(4R)-2-methyl-5-oxo-4-[(1R)-3-oxo-1-phenylbutyl]-1,3-oxazol-4-yl]propanoate has a molecular weight of 331.37 g/mol, XLogP of 2.42, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4R)-2-methyl-5-oxo-4-[(1R)-3-oxo-1-phenylbutyl]-1,3-oxazol-4-yl]propanoate is sourced from PubChem (CID 71517997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).