(4S)-3-[(2S,3S)-3-(furan-2-yl)-3-hydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one

C32H31NO6 — CID 58354460

IUPAC(4S)-3-[(2S,3S)-3-(furan-2-yl)-3-hydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(C(=O)[C@@](C)(OCc2ccc(-c3ccccc3)cc2)[C@@H](O)c2ccco2)[C@H]1c1ccccc1
InChIInChI=1S/C32H31NO6/c1-31(2)27(25-13-8-5-9-14-25)33(30(36)39-31)29(35)32(3,28(34)26-15-10-20-37-26)38-21-22-16-18-24(19-17-22)23-11-6-4-7-12-23/h4-20,27-28,34H,21H2,1-3H3/t27-,28-,32-/m0/s1
InChIKeyZUPLGWVFLKPZQQ-HPSLPFNASA-N
MW525.60 g/mol
LogP6.45
Rot. Bonds8

About (4S)-3-[(2S,3S)-3-(furan-2-yl)-3-hydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[(2S,3S)-3-(furan-2-yl)-3-hydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 58354460) has the molecular formula C32H31NO6 and a molecular weight of 525.60 g/mol. Its IUPAC name is (4S)-3-[(2S,3S)-3-(furan-2-yl)-3-hydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(2S,3S)-3-(furan-2-yl)-3-hydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
PubChem CID58354460
Molecular FormulaC32H31NO6
Molecular Weight525.60 g/mol
Exact Mass525.22
IUPAC Name(4S)-3-[(2S,3S)-3-(furan-2-yl)-3-hydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(C(=O)[C@@](C)(OCc2ccc(-c3ccccc3)cc2)[C@@H](O)c2ccco2)[C@H]1c1ccccc1
InChIInChI=1S/C32H31NO6/c1-31(2)27(25-13-8-5-9-14-25)33(30(36)39-31)29(35)32(3,28(34)26-15-10-20-37-26)38-21-22-16-18-24(19-17-22)23-11-6-4-7-12-23/h4-20,27-28,34H,21H2,1-3H3/t27-,28-,32-/m0/s1
InChIKeyZUPLGWVFLKPZQQ-HPSLPFNASA-N
XLogP6.45
TPSA89.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.60
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4S)-3-[(2S,3S)-3-(furan-2-yl)-3-hydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2S,3S)-3-(furan-2-yl)-3-hydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(2S,3S)-3-(furan-2-yl)-3-hydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one (CID 58354460) is (4S)-3-[(2S,3S)-3-(furan-2-yl)-3-hydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(2S,3S)-3-(furan-2-yl)-3-hydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(2S,3S)-3-(furan-2-yl)-3-hydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one is CC1(C)OC(=O)N(C(=O)[C@@](C)(OCc2ccc(-c3ccccc3)cc2)[C@@H](O)c2ccco2)[C@H]1c1ccccc1.
What is the InChIKey of (4S)-3-[(2S,3S)-3-(furan-2-yl)-3-hydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is ZUPLGWVFLKPZQQ-HPSLPFNASA-N. The full InChI is InChI=1S/C32H31NO6/c1-31(2)27(25-13-8-5-9-14-25)33(30(36)39-31)29(35)32(3,28(34)26-15-10-20-37-26)38-21-22-16-18-24(19-17-22)23-11-6-4-7-12-23/h4-20,27-28,34H,21H2,1-3H3/t27-,28-,32-/m0/s1.
What are the key properties of (4S)-3-[(2S,3S)-3-(furan-2-yl)-3-hydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[(2S,3S)-3-(furan-2-yl)-3-hydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 525.60 g/mol, XLogP of 6.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2S,3S)-3-(furan-2-yl)-3-hydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 58354460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).