(4S)-3-[(3S)-3-(4-methoxy-2-methylphenyl)-4-methylpentanoyl]-4-phenyl-1,3-oxazolidin-2-one

C23H27NO4 — CID 102004114

IUPAC(4S)-3-[(3S)-3-(4-methoxy-2-methylphenyl)-4-methylpentanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCOc1ccc([C@@H](CC(=O)N2C(=O)OC[C@@H]2c2ccccc2)C(C)C)c(C)c1
InChIInChI=1S/C23H27NO4/c1-15(2)20(19-11-10-18(27-4)12-16(19)3)13-22(25)24-21(14-28-23(24)26)17-8-6-5-7-9-17/h5-12,15,20-21H,13-14H2,1-4H3/t20-,21+/m0/s1
InChIKeyXWRMYZAYBDZKSP-LEWJYISDSA-N
MW381.47 g/mol
LogP4.85
Rot. Bonds6

About (4S)-3-[(3S)-3-(4-methoxy-2-methylphenyl)-4-methylpentanoyl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[(3S)-3-(4-methoxy-2-methylphenyl)-4-methylpentanoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 102004114) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is (4S)-3-[(3S)-3-(4-methoxy-2-methylphenyl)-4-methylpentanoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(3S)-3-(4-methoxy-2-methylphenyl)-4-methylpentanoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID102004114
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Name(4S)-3-[(3S)-3-(4-methoxy-2-methylphenyl)-4-methylpentanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCOc1ccc([C@@H](CC(=O)N2C(=O)OC[C@@H]2c2ccccc2)C(C)C)c(C)c1
InChIInChI=1S/C23H27NO4/c1-15(2)20(19-11-10-18(27-4)12-16(19)3)13-22(25)24-21(14-28-23(24)26)17-8-6-5-7-9-17/h5-12,15,20-21H,13-14H2,1-4H3/t20-,21+/m0/s1
InChIKeyXWRMYZAYBDZKSP-LEWJYISDSA-N
XLogP4.85
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-3-[(3S)-3-(4-methoxy-2-methylphenyl)-4-methylpentanoyl]-4-phenyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4S)-3-[(2S,3S)-2-bromo-3-(4-methoxy-2-methylphenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 10961002
3-(3-methylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 67991997
(4S)-4-phenyl-3-[4,4,4-trifluoro-3-(4-methoxyphenyl)butanoyl]-1,3-oxazolidin-2-one
CID 15472864
(4R)-3-[3-(3-methoxyphenyl)pent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 15314141
3-[(E)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 6293644
3-[3-[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 70944339
(4R)-3-[(3S)-3-(4-fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 59063674
(4S)-3-[3-(2,6-dichloro-4-pyridinyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 174188865
ethyl (Z)-3-(4-methoxy-2,6-dimethylphenyl)-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidine-3-carbonyl]prop-2-enoate
CID 40557639
(4S)-3-[(3R)-4-methyl-3-phenylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 163564616
(4R)-3-(3,3-dimethylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 118888246
(4S)-3-[(3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3,4-dimethylpentanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 101174120

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(3S)-3-(4-methoxy-2-methylphenyl)-4-methylpentanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(3S)-3-(4-methoxy-2-methylphenyl)-4-methylpentanoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 102004114) is (4S)-3-[(3S)-3-(4-methoxy-2-methylphenyl)-4-methylpentanoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(3S)-3-(4-methoxy-2-methylphenyl)-4-methylpentanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(3S)-3-(4-methoxy-2-methylphenyl)-4-methylpentanoyl]-4-phenyl-1,3-oxazolidin-2-one is COc1ccc([C@@H](CC(=O)N2C(=O)OC[C@@H]2c2ccccc2)C(C)C)c(C)c1.
What is the InChIKey of (4S)-3-[(3S)-3-(4-methoxy-2-methylphenyl)-4-methylpentanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is XWRMYZAYBDZKSP-LEWJYISDSA-N. The full InChI is InChI=1S/C23H27NO4/c1-15(2)20(19-11-10-18(27-4)12-16(19)3)13-22(25)24-21(14-28-23(24)26)17-8-6-5-7-9-17/h5-12,15,20-21H,13-14H2,1-4H3/t20-,21+/m0/s1.
What are the key properties of (4S)-3-[(3S)-3-(4-methoxy-2-methylphenyl)-4-methylpentanoyl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[(3S)-3-(4-methoxy-2-methylphenyl)-4-methylpentanoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 381.47 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(3S)-3-(4-methoxy-2-methylphenyl)-4-methylpentanoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 102004114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).