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

C32H32N2O6 — CID 58354278

IUPAC(4S)-3-[(2S,3S)-3-hydroxy-2-methyl-3-(5-methyl-1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
SMILESCc1cc([C@H](O)[C@](C)(OCc2ccc(-c3ccccc3)cc2)C(=O)N2C(=O)OC(C)(C)[C@@H]2c2ccccc2)no1
InChIInChI=1S/C32H32N2O6/c1-21-19-26(33-40-21)28(35)32(4,38-20-22-15-17-24(18-16-22)23-11-7-5-8-12-23)29(36)34-27(25-13-9-6-10-14-25)31(2,3)39-30(34)37/h5-19,27-28,35H,20H2,1-4H3/t27-,28-,32-/m0/s1
InChIKeyBPNUOVXUDSQOGW-HPSLPFNASA-N
MW540.62 g/mol
LogP6.16
Rot. Bonds8

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

(4S)-3-[(2S,3S)-3-hydroxy-2-methyl-3-(5-methyl-1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 58354278) has the molecular formula C32H32N2O6 and a molecular weight of 540.62 g/mol. Its IUPAC name is (4S)-3-[(2S,3S)-3-hydroxy-2-methyl-3-(5-methyl-1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(2S,3S)-3-hydroxy-2-methyl-3-(5-methyl-1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
PubChem CID58354278
Molecular FormulaC32H32N2O6
Molecular Weight540.62 g/mol
Exact Mass540.23
IUPAC Name(4S)-3-[(2S,3S)-3-hydroxy-2-methyl-3-(5-methyl-1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
SMILESCc1cc([C@H](O)[C@](C)(OCc2ccc(-c3ccccc3)cc2)C(=O)N2C(=O)OC(C)(C)[C@@H]2c2ccccc2)no1
InChIInChI=1S/C32H32N2O6/c1-21-19-26(33-40-21)28(35)32(4,38-20-22-15-17-24(18-16-22)23-11-7-5-8-12-23)29(36)34-27(25-13-9-6-10-14-25)31(2,3)39-30(34)37/h5-19,27-28,35H,20H2,1-4H3/t27-,28-,32-/m0/s1
InChIKeyBPNUOVXUDSQOGW-HPSLPFNASA-N
XLogP6.16
TPSA102.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.62
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2S,3S)-3-hydroxy-2-methyl-3-(5-methyl-1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(2S,3S)-3-hydroxy-2-methyl-3-(5-methyl-1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one (CID 58354278) is (4S)-3-[(2S,3S)-3-hydroxy-2-methyl-3-(5-methyl-1,2-oxazol-3-yl)-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-hydroxy-2-methyl-3-(5-methyl-1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(2S,3S)-3-hydroxy-2-methyl-3-(5-methyl-1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one is Cc1cc([C@H](O)[C@](C)(OCc2ccc(-c3ccccc3)cc2)C(=O)N2C(=O)OC(C)(C)[C@@H]2c2ccccc2)no1.
What is the InChIKey of (4S)-3-[(2S,3S)-3-hydroxy-2-methyl-3-(5-methyl-1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is BPNUOVXUDSQOGW-HPSLPFNASA-N. The full InChI is InChI=1S/C32H32N2O6/c1-21-19-26(33-40-21)28(35)32(4,38-20-22-15-17-24(18-16-22)23-11-7-5-8-12-23)29(36)34-27(25-13-9-6-10-14-25)31(2,3)39-30(34)37/h5-19,27-28,35H,20H2,1-4H3/t27-,28-,32-/m0/s1.
What are the key properties of (4S)-3-[(2S,3S)-3-hydroxy-2-methyl-3-(5-methyl-1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[(2S,3S)-3-hydroxy-2-methyl-3-(5-methyl-1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 540.62 g/mol, XLogP of 6.16, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2S,3S)-3-hydroxy-2-methyl-3-(5-methyl-1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 58354278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).