(2S,4R)-3-benzoyl-4-[(4-methoxyphenyl)methyl]-4-methyl-2-phenyl-1,3-oxazolidin-5-one

C25H23NO4 — CID 44596871

IUPAC(2S,4R)-3-benzoyl-4-[(4-methoxyphenyl)methyl]-4-methyl-2-phenyl-1,3-oxazolidin-5-one
SMILESCOc1ccc(C[C@]2(C)C(=O)O[C@@H](c3ccccc3)N2C(=O)c2ccccc2)cc1
InChIInChI=1S/C25H23NO4/c1-25(17-18-13-15-21(29-2)16-14-18)24(28)30-23(20-11-7-4-8-12-20)26(25)22(27)19-9-5-3-6-10-19/h3-16,23H,17H2,1-2H3/t23-,25+/m0/s1
InChIKeyAJHFQAGNRUPDTD-UKILVPOCSA-N
MW401.46 g/mol
LogP4.39
Rot. Bonds5

About (2S,4R)-3-benzoyl-4-[(4-methoxyphenyl)methyl]-4-methyl-2-phenyl-1,3-oxazolidin-5-one

(2S,4R)-3-benzoyl-4-[(4-methoxyphenyl)methyl]-4-methyl-2-phenyl-1,3-oxazolidin-5-one (PubChem CID 44596871) has the molecular formula C25H23NO4 and a molecular weight of 401.46 g/mol. Its IUPAC name is (2S,4R)-3-benzoyl-4-[(4-methoxyphenyl)methyl]-4-methyl-2-phenyl-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name(2S,4R)-3-benzoyl-4-[(4-methoxyphenyl)methyl]-4-methyl-2-phenyl-1,3-oxazolidin-5-one
PubChem CID44596871
Molecular FormulaC25H23NO4
Molecular Weight401.46 g/mol
Exact Mass401.16
IUPAC Name(2S,4R)-3-benzoyl-4-[(4-methoxyphenyl)methyl]-4-methyl-2-phenyl-1,3-oxazolidin-5-one
SMILESCOc1ccc(C[C@]2(C)C(=O)O[C@@H](c3ccccc3)N2C(=O)c2ccccc2)cc1
InChIInChI=1S/C25H23NO4/c1-25(17-18-13-15-21(29-2)16-14-18)24(28)30-23(20-11-7-4-8-12-20)26(25)22(27)19-9-5-3-6-10-19/h3-16,23H,17H2,1-2H3/t23-,25+/m0/s1
InChIKeyAJHFQAGNRUPDTD-UKILVPOCSA-N
XLogP4.39
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-3-benzoyl-4-[(4-methoxyphenyl)methyl]-4-methyl-2-phenyl-1,3-oxazolidin-5-one?
The IUPAC name of (2S,4R)-3-benzoyl-4-[(4-methoxyphenyl)methyl]-4-methyl-2-phenyl-1,3-oxazolidin-5-one (CID 44596871) is (2S,4R)-3-benzoyl-4-[(4-methoxyphenyl)methyl]-4-methyl-2-phenyl-1,3-oxazolidin-5-one.
What is the SMILES notation for (2S,4R)-3-benzoyl-4-[(4-methoxyphenyl)methyl]-4-methyl-2-phenyl-1,3-oxazolidin-5-one?
The canonical SMILES for (2S,4R)-3-benzoyl-4-[(4-methoxyphenyl)methyl]-4-methyl-2-phenyl-1,3-oxazolidin-5-one is COc1ccc(C[C@]2(C)C(=O)O[C@@H](c3ccccc3)N2C(=O)c2ccccc2)cc1.
What is the InChIKey of (2S,4R)-3-benzoyl-4-[(4-methoxyphenyl)methyl]-4-methyl-2-phenyl-1,3-oxazolidin-5-one?
The InChIKey is AJHFQAGNRUPDTD-UKILVPOCSA-N. The full InChI is InChI=1S/C25H23NO4/c1-25(17-18-13-15-21(29-2)16-14-18)24(28)30-23(20-11-7-4-8-12-20)26(25)22(27)19-9-5-3-6-10-19/h3-16,23H,17H2,1-2H3/t23-,25+/m0/s1.
What are the key properties of (2S,4R)-3-benzoyl-4-[(4-methoxyphenyl)methyl]-4-methyl-2-phenyl-1,3-oxazolidin-5-one?
(2S,4R)-3-benzoyl-4-[(4-methoxyphenyl)methyl]-4-methyl-2-phenyl-1,3-oxazolidin-5-one has a molecular weight of 401.46 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-3-benzoyl-4-[(4-methoxyphenyl)methyl]-4-methyl-2-phenyl-1,3-oxazolidin-5-one is sourced from PubChem (CID 44596871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).