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

C35H32N2O7 — CID 58354333

IUPAC(4S)-3-[(2S,3S)-3-[5-(furan-2-yl)-1,2-oxazol-3-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)c2cc(-c3ccco3)on2)[C@H]1c1ccccc1
InChIInChI=1S/C35H32N2O7/c1-34(2)30(26-13-8-5-9-14-26)37(33(40)43-34)32(39)35(3,31(38)27-21-29(44-36-27)28-15-10-20-41-28)42-22-23-16-18-25(19-17-23)24-11-6-4-7-12-24/h4-21,30-31,38H,22H2,1-3H3/t30-,31-,35-/m0/s1
InChIKeyQVDZNJSKPQTEJM-WQDXIGEJSA-N
MW592.65 g/mol
LogP7.11
Rot. Bonds9

About (4S)-3-[(2S,3S)-3-[5-(furan-2-yl)-1,2-oxazol-3-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-[5-(furan-2-yl)-1,2-oxazol-3-yl]-3-hydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 58354333) has the molecular formula C35H32N2O7 and a molecular weight of 592.65 g/mol. Its IUPAC name is (4S)-3-[(2S,3S)-3-[5-(furan-2-yl)-1,2-oxazol-3-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-[5-(furan-2-yl)-1,2-oxazol-3-yl]-3-hydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
PubChem CID58354333
Molecular FormulaC35H32N2O7
Molecular Weight592.65 g/mol
Exact Mass592.22
IUPAC Name(4S)-3-[(2S,3S)-3-[5-(furan-2-yl)-1,2-oxazol-3-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)c2cc(-c3ccco3)on2)[C@H]1c1ccccc1
InChIInChI=1S/C35H32N2O7/c1-34(2)30(26-13-8-5-9-14-26)37(33(40)43-34)32(39)35(3,31(38)27-21-29(44-36-27)28-15-10-20-41-28)42-22-23-16-18-25(19-17-23)24-11-6-4-7-12-24/h4-21,30-31,38H,22H2,1-3H3/t30-,31-,35-/m0/s1
InChIKeyQVDZNJSKPQTEJM-WQDXIGEJSA-N
XLogP7.11
TPSA115.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.65
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (4S)-3-[(2S,3S)-3-[5-(furan-2-yl)-1,2-oxazol-3-yl]-3-hydroxy-2-methyl-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-[5-(furan-2-yl)-1,2-oxazol-3-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-[5-(furan-2-yl)-1,2-oxazol-3-yl]-3-hydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one (CID 58354333) is (4S)-3-[(2S,3S)-3-[5-(furan-2-yl)-1,2-oxazol-3-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-[5-(furan-2-yl)-1,2-oxazol-3-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-[5-(furan-2-yl)-1,2-oxazol-3-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)c2cc(-c3ccco3)on2)[C@H]1c1ccccc1.
What is the InChIKey of (4S)-3-[(2S,3S)-3-[5-(furan-2-yl)-1,2-oxazol-3-yl]-3-hydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is QVDZNJSKPQTEJM-WQDXIGEJSA-N. The full InChI is InChI=1S/C35H32N2O7/c1-34(2)30(26-13-8-5-9-14-26)37(33(40)43-34)32(39)35(3,31(38)27-21-29(44-36-27)28-15-10-20-41-28)42-22-23-16-18-25(19-17-23)24-11-6-4-7-12-24/h4-21,30-31,38H,22H2,1-3H3/t30-,31-,35-/m0/s1.
What are the key properties of (4S)-3-[(2S,3S)-3-[5-(furan-2-yl)-1,2-oxazol-3-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-[5-(furan-2-yl)-1,2-oxazol-3-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 592.65 g/mol, XLogP of 7.11, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2S,3S)-3-[5-(furan-2-yl)-1,2-oxazol-3-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 58354333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).