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

C34H35NO7 — CID 58354425

IUPAC(4S)-3-[(2S,3S)-3-hydroxy-3-[5-(methoxymethyl)furan-2-yl]-2-methyl-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
SMILESCOCc1ccc([C@H](O)[C@](C)(OCc2ccc(-c3ccccc3)cc2)C(=O)N2C(=O)OC(C)(C)[C@@H]2c2ccccc2)o1
InChIInChI=1S/C34H35NO7/c1-33(2)29(26-13-9-6-10-14-26)35(32(38)42-33)31(37)34(3,30(36)28-20-19-27(41-28)22-39-4)40-21-23-15-17-25(18-16-23)24-11-7-5-8-12-24/h5-20,29-30,36H,21-22H2,1-4H3/t29-,30-,34-/m0/s1
InChIKeyGKWOAZFHWOTBPI-RRURFNPQSA-N
MW569.65 g/mol
LogP6.60
Rot. Bonds10

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

(4S)-3-[(2S,3S)-3-hydroxy-3-[5-(methoxymethyl)furan-2-yl]-2-methyl-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 58354425) has the molecular formula C34H35NO7 and a molecular weight of 569.65 g/mol. Its IUPAC name is (4S)-3-[(2S,3S)-3-hydroxy-3-[5-(methoxymethyl)furan-2-yl]-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-hydroxy-3-[5-(methoxymethyl)furan-2-yl]-2-methyl-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
PubChem CID58354425
Molecular FormulaC34H35NO7
Molecular Weight569.65 g/mol
Exact Mass569.24
IUPAC Name(4S)-3-[(2S,3S)-3-hydroxy-3-[5-(methoxymethyl)furan-2-yl]-2-methyl-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
SMILESCOCc1ccc([C@H](O)[C@](C)(OCc2ccc(-c3ccccc3)cc2)C(=O)N2C(=O)OC(C)(C)[C@@H]2c2ccccc2)o1
InChIInChI=1S/C34H35NO7/c1-33(2)29(26-13-9-6-10-14-26)35(32(38)42-33)31(37)34(3,30(36)28-20-19-27(41-28)22-39-4)40-21-23-15-17-25(18-16-23)24-11-7-5-8-12-24/h5-20,29-30,36H,21-22H2,1-4H3/t29-,30-,34-/m0/s1
InChIKeyGKWOAZFHWOTBPI-RRURFNPQSA-N
XLogP6.60
TPSA98.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.65
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4S)-3-[(2S,3S)-3-hydroxy-3-[5-(methoxymethyl)furan-2-yl]-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-hydroxy-3-[5-(methoxymethyl)furan-2-yl]-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-hydroxy-3-[5-(methoxymethyl)furan-2-yl]-2-methyl-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one (CID 58354425) is (4S)-3-[(2S,3S)-3-hydroxy-3-[5-(methoxymethyl)furan-2-yl]-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-hydroxy-3-[5-(methoxymethyl)furan-2-yl]-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-hydroxy-3-[5-(methoxymethyl)furan-2-yl]-2-methyl-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one is COCc1ccc([C@H](O)[C@](C)(OCc2ccc(-c3ccccc3)cc2)C(=O)N2C(=O)OC(C)(C)[C@@H]2c2ccccc2)o1.
What is the InChIKey of (4S)-3-[(2S,3S)-3-hydroxy-3-[5-(methoxymethyl)furan-2-yl]-2-methyl-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is GKWOAZFHWOTBPI-RRURFNPQSA-N. The full InChI is InChI=1S/C34H35NO7/c1-33(2)29(26-13-9-6-10-14-26)35(32(38)42-33)31(37)34(3,30(36)28-20-19-27(41-28)22-39-4)40-21-23-15-17-25(18-16-23)24-11-7-5-8-12-24/h5-20,29-30,36H,21-22H2,1-4H3/t29-,30-,34-/m0/s1.
What are the key properties of (4S)-3-[(2S,3S)-3-hydroxy-3-[5-(methoxymethyl)furan-2-yl]-2-methyl-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[(2S,3S)-3-hydroxy-3-[5-(methoxymethyl)furan-2-yl]-2-methyl-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 569.65 g/mol, XLogP of 6.60, 10 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-3-[5-(methoxymethyl)furan-2-yl]-2-methyl-2-[(4-phenylphenyl)methoxy]propanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 58354425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).