(4S,5R)-3-[[2-[5-(4-acetyl-2-methylphenyl)-2-chlorophenyl]-5-(trifluoromethyl)phenyl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one

C35H25ClF9NO3 — CID 25008473

IUPAC(4S,5R)-3-[[2-[5-(4-acetyl-2-methylphenyl)-2-chlorophenyl]-5-(trifluoromethyl)phenyl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCC(=O)c1ccc(-c2ccc(Cl)c(-c3ccc(C(F)(F)F)cc3CN3C(=O)O[C@H](c4cc(C(F)(F)F)cc(C(F)(F)F)c4)[C@@H]3C)c2)c(C)c1
InChIInChI=1S/C35H25ClF9NO3/c1-17-10-20(19(3)47)4-7-27(17)21-5-9-30(36)29(14-21)28-8-6-24(33(37,38)39)13-23(28)16-46-18(2)31(49-32(46)48)22-11-25(34(40,41)42)15-26(12-22)35(43,44)45/h4-15,18,31H,16H2,1-3H3/t18-,31-/m0/s1
InChIKeyUEWHTFQVWQPDFP-DRKIFQHWSA-N
MW714.02 g/mol
LogP11.32
Rot. Bonds6

About (4S,5R)-3-[[2-[5-(4-acetyl-2-methylphenyl)-2-chlorophenyl]-5-(trifluoromethyl)phenyl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one

(4S,5R)-3-[[2-[5-(4-acetyl-2-methylphenyl)-2-chlorophenyl]-5-(trifluoromethyl)phenyl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 25008473) has the molecular formula C35H25ClF9NO3 and a molecular weight of 714.02 g/mol. Its IUPAC name is (4S,5R)-3-[[2-[5-(4-acetyl-2-methylphenyl)-2-chlorophenyl]-5-(trifluoromethyl)phenyl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-3-[[2-[5-(4-acetyl-2-methylphenyl)-2-chlorophenyl]-5-(trifluoromethyl)phenyl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID25008473
Molecular FormulaC35H25ClF9NO3
Molecular Weight714.02 g/mol
Exact Mass713.14
IUPAC Name(4S,5R)-3-[[2-[5-(4-acetyl-2-methylphenyl)-2-chlorophenyl]-5-(trifluoromethyl)phenyl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCC(=O)c1ccc(-c2ccc(Cl)c(-c3ccc(C(F)(F)F)cc3CN3C(=O)O[C@H](c4cc(C(F)(F)F)cc(C(F)(F)F)c4)[C@@H]3C)c2)c(C)c1
InChIInChI=1S/C35H25ClF9NO3/c1-17-10-20(19(3)47)4-7-27(17)21-5-9-30(36)29(14-21)28-8-6-24(33(37,38)39)13-23(28)16-46-18(2)31(49-32(46)48)22-11-25(34(40,41)42)15-26(12-22)35(43,44)45/h4-15,18,31H,16H2,1-3H3/t18-,31-/m0/s1
InChIKeyUEWHTFQVWQPDFP-DRKIFQHWSA-N
XLogP11.32
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.02
LogP ≤ 511.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S,5R)-3-[[2-[5-(4-acetyl-2-methylphenyl)-2-chlorophenyl]-5-(trifluoromethyl)phenyl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-3-[[2-[5-(4-acetyl-2-methylphenyl)-2-chlorophenyl]-5-(trifluoromethyl)phenyl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-3-[[2-[5-(4-acetyl-2-methylphenyl)-2-chlorophenyl]-5-(trifluoromethyl)phenyl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one (CID 25008473) is (4S,5R)-3-[[2-[5-(4-acetyl-2-methylphenyl)-2-chlorophenyl]-5-(trifluoromethyl)phenyl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-3-[[2-[5-(4-acetyl-2-methylphenyl)-2-chlorophenyl]-5-(trifluoromethyl)phenyl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-3-[[2-[5-(4-acetyl-2-methylphenyl)-2-chlorophenyl]-5-(trifluoromethyl)phenyl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one is CC(=O)c1ccc(-c2ccc(Cl)c(-c3ccc(C(F)(F)F)cc3CN3C(=O)O[C@H](c4cc(C(F)(F)F)cc(C(F)(F)F)c4)[C@@H]3C)c2)c(C)c1.
What is the InChIKey of (4S,5R)-3-[[2-[5-(4-acetyl-2-methylphenyl)-2-chlorophenyl]-5-(trifluoromethyl)phenyl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is UEWHTFQVWQPDFP-DRKIFQHWSA-N. The full InChI is InChI=1S/C35H25ClF9NO3/c1-17-10-20(19(3)47)4-7-27(17)21-5-9-30(36)29(14-21)28-8-6-24(33(37,38)39)13-23(28)16-46-18(2)31(49-32(46)48)22-11-25(34(40,41)42)15-26(12-22)35(43,44)45/h4-15,18,31H,16H2,1-3H3/t18-,31-/m0/s1.
What are the key properties of (4S,5R)-3-[[2-[5-(4-acetyl-2-methylphenyl)-2-chlorophenyl]-5-(trifluoromethyl)phenyl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one?
(4S,5R)-3-[[2-[5-(4-acetyl-2-methylphenyl)-2-chlorophenyl]-5-(trifluoromethyl)phenyl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 714.02 g/mol, XLogP of 11.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-3-[[2-[5-(4-acetyl-2-methylphenyl)-2-chlorophenyl]-5-(trifluoromethyl)phenyl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 25008473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).