3-[(3R)-4-methyl-3-phenylpentanoyl]-1,3-oxazolidin-2-one

C15H19NO3 — CID 11139889

IUPAC3-[(3R)-4-methyl-3-phenylpentanoyl]-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H](CC(=O)N1CCOC1=O)c1ccccc1
InChIInChI=1S/C15H19NO3/c1-11(2)13(12-6-4-3-5-7-12)10-14(17)16-8-9-19-15(16)18/h3-7,11,13H,8-10H2,1-2H3/t13-/m1/s1
InChIKeyLSRZITARZPQSPW-CYBMUJFWSA-N
MW261.32 g/mol
LogP2.80
Rot. Bonds4

About 3-[(3R)-4-methyl-3-phenylpentanoyl]-1,3-oxazolidin-2-one

3-[(3R)-4-methyl-3-phenylpentanoyl]-1,3-oxazolidin-2-one (PubChem CID 11139889) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-[(3R)-4-methyl-3-phenylpentanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3R)-4-methyl-3-phenylpentanoyl]-1,3-oxazolidin-2-one
PubChem CID11139889
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name3-[(3R)-4-methyl-3-phenylpentanoyl]-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H](CC(=O)N1CCOC1=O)c1ccccc1
InChIInChI=1S/C15H19NO3/c1-11(2)13(12-6-4-3-5-7-12)10-14(17)16-8-9-19-15(16)18/h3-7,11,13H,8-10H2,1-2H3/t13-/m1/s1
InChIKeyLSRZITARZPQSPW-CYBMUJFWSA-N
XLogP2.80
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylbutanoyl)-1,3-oxazolidin-2-one
CID 10352137
3-[3-(1,2-oxazol-3-yl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one
CID 143640419
3-[3-(1,3-benzodioxol-5-yl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one
CID 10735812
3-(3-hydroxy-2-methyl-3-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 10682057
ethyl 2-(N-methylanilino)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate
CID 101139378
3-(3-ethylpentanoyl)-1,3-oxazolidin-2-one
CID 15521538
(4R)-4-benzyl-3-(4-methyl-3-phenylpentanoyl)-1,3-oxazolidin-2-one
CID 100948287
3-[(2R)-2-[(1S)-2-methyl-1-phenylpropyl]pent-4-enoyl]-1,3-oxazolidin-2-one
CID 101143575
3-[3-(2-methoxyanilino)butanoyl]-1,3-oxazolidin-2-one
CID 86223144
3-[(3S)-3-(4-chloro-N-methylanilino)butanoyl]-1,3-oxazolidin-2-one
CID 131853013
1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-3-phenylpentan-1-one
CID 110316558
3-[(3R)-3-sulfanylhexanoyl]-1,3-oxazolidin-2-one
CID 102035689

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-4-methyl-3-phenylpentanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3R)-4-methyl-3-phenylpentanoyl]-1,3-oxazolidin-2-one (CID 11139889) is 3-[(3R)-4-methyl-3-phenylpentanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3R)-4-methyl-3-phenylpentanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3R)-4-methyl-3-phenylpentanoyl]-1,3-oxazolidin-2-one is CC(C)[C@@H](CC(=O)N1CCOC1=O)c1ccccc1.
What is the InChIKey of 3-[(3R)-4-methyl-3-phenylpentanoyl]-1,3-oxazolidin-2-one?
The InChIKey is LSRZITARZPQSPW-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11(2)13(12-6-4-3-5-7-12)10-14(17)16-8-9-19-15(16)18/h3-7,11,13H,8-10H2,1-2H3/t13-/m1/s1.
What are the key properties of 3-[(3R)-4-methyl-3-phenylpentanoyl]-1,3-oxazolidin-2-one?
3-[(3R)-4-methyl-3-phenylpentanoyl]-1,3-oxazolidin-2-one has a molecular weight of 261.32 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-4-methyl-3-phenylpentanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11139889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).