(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one

C24H17F9N2O3S — CID 11497948

IUPAC(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@H]1[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1Cc1cc(C(F)(F)F)ccc1-c1nc(CO)cs1
InChIInChI=1S/C24H17F9N2O3S/c1-11-19(12-4-15(23(28,29)30)7-16(5-12)24(31,32)33)38-21(37)35(11)8-13-6-14(22(25,26)27)2-3-18(13)20-34-17(9-36)10-39-20/h2-7,10-11,19,36H,8-9H2,1H3/t11-,19-/m0/s1
InChIKeyBFFZKIPMHHVGQB-WLRWDXFRSA-N
MW584.46 g/mol
LogP7.44
Rot. Bonds5

About (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one

(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 11497948) has the molecular formula C24H17F9N2O3S and a molecular weight of 584.46 g/mol. Its IUPAC name is (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID11497948
Molecular FormulaC24H17F9N2O3S
Molecular Weight584.46 g/mol
Exact Mass584.08
IUPAC Name(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@H]1[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1Cc1cc(C(F)(F)F)ccc1-c1nc(CO)cs1
InChIInChI=1S/C24H17F9N2O3S/c1-11-19(12-4-15(23(28,29)30)7-16(5-12)24(31,32)33)38-21(37)35(11)8-13-6-14(22(25,26)27)2-3-18(13)20-34-17(9-36)10-39-20/h2-7,10-11,19,36H,8-9H2,1H3/t11-,19-/m0/s1
InChIKeyBFFZKIPMHHVGQB-WLRWDXFRSA-N
XLogP7.44
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.46
LogP ≤ 57.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one (CID 11497948) is (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one is C[C@H]1[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1Cc1cc(C(F)(F)F)ccc1-c1nc(CO)cs1.
What is the InChIKey of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is BFFZKIPMHHVGQB-WLRWDXFRSA-N. The full InChI is InChI=1S/C24H17F9N2O3S/c1-11-19(12-4-15(23(28,29)30)7-16(5-12)24(31,32)33)38-21(37)35(11)8-13-6-14(22(25,26)27)2-3-18(13)20-34-17(9-36)10-39-20/h2-7,10-11,19,36H,8-9H2,1H3/t11-,19-/m0/s1.
What are the key properties of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one?
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 584.46 g/mol, XLogP of 7.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11497948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).