(5S)-3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one

C27H26F3NO3 — CID 57391801

IUPAC(5S)-3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one
SMILESCOc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1C[C@H](c2ccccc2)OC1=O
InChIInChI=1S/C27H26F3NO3/c1-17(2)19-9-12-24(33-3)23(14-19)22-11-10-21(27(28,29)30)13-20(22)15-31-16-25(34-26(31)32)18-7-5-4-6-8-18/h4-14,17,25H,15-16H2,1-3H3/t25-/m1/s1
InChIKeyCQAFQHKYXAZWLX-RUZDIDTESA-N
MW469.50 g/mol
LogP7.20
Rot. Bonds6

About (5S)-3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one

(5S)-3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 57391801) has the molecular formula C27H26F3NO3 and a molecular weight of 469.50 g/mol. Its IUPAC name is (5S)-3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one
PubChem CID57391801
Molecular FormulaC27H26F3NO3
Molecular Weight469.50 g/mol
Exact Mass469.19
IUPAC Name(5S)-3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one
SMILESCOc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1C[C@H](c2ccccc2)OC1=O
InChIInChI=1S/C27H26F3NO3/c1-17(2)19-9-12-24(33-3)23(14-19)22-11-10-21(27(28,29)30)13-20(22)15-31-16-25(34-26(31)32)18-7-5-4-6-8-18/h4-14,17,25H,15-16H2,1-3H3/t25-/m1/s1
InChIKeyCQAFQHKYXAZWLX-RUZDIDTESA-N
XLogP7.20
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.50
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5S)-3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-5-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 (5S)-3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one (CID 57391801) is (5S)-3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one is COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1C[C@H](c2ccccc2)OC1=O.
What is the InChIKey of (5S)-3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is CQAFQHKYXAZWLX-RUZDIDTESA-N. The full InChI is InChI=1S/C27H26F3NO3/c1-17(2)19-9-12-24(33-3)23(14-19)22-11-10-21(27(28,29)30)13-20(22)15-31-16-25(34-26(31)32)18-7-5-4-6-8-18/h4-14,17,25H,15-16H2,1-3H3/t25-/m1/s1.
What are the key properties of (5S)-3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one?
(5S)-3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 469.50 g/mol, XLogP of 7.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 57391801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).