(5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one

C31H27F10NO3 — CID 53364079

IUPAC(5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one
SMILESCOc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1(C)C
InChIInChI=1S/C31H27F10NO3/c1-15(2)22-12-23(25(44-5)13-24(22)32)21-7-6-18(29(33,34)35)10-17(21)14-42-27(43)45-26(28(42,3)4)16-8-19(30(36,37)38)11-20(9-16)31(39,40)41/h6-13,15,26H,14H2,1-5H3/t26-/m1/s1
InChIKeyDCGKVWUPMGGBHY-AREMUKBSSA-N
MW651.54 g/mol
LogP10.15
Rot. Bonds6

About (5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one

(5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one (PubChem CID 53364079) has the molecular formula C31H27F10NO3 and a molecular weight of 651.54 g/mol. Its IUPAC name is (5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one
PubChem CID53364079
Molecular FormulaC31H27F10NO3
Molecular Weight651.54 g/mol
Exact Mass651.18
IUPAC Name(5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one
SMILESCOc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1(C)C
InChIInChI=1S/C31H27F10NO3/c1-15(2)22-12-23(25(44-5)13-24(22)32)21-7-6-18(29(33,34)35)10-17(21)14-42-27(43)45-26(28(42,3)4)16-8-19(30(36,37)38)11-20(9-16)31(39,40)41/h6-13,15,26H,14H2,1-5H3/t26-/m1/s1
InChIKeyDCGKVWUPMGGBHY-AREMUKBSSA-N
XLogP10.15
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.54
LogP ≤ 510.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

Anacetrapib
CID 11556427
Methyl [3,5-bis(trifluoromethyl)benzyl]{[2'-methoxy-5'-methyl-4-(trifluoromethyl)biphenyl-2-yl]methyl}carbamate
CID 11261706
Methyl [3,5-bis(trifluoromethyl)benzyl][(4-iodo-5'-isopropyl-2'-methoxybiphenyl-2-yl)methyl]carbamate
CID 11527580
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl)-3-[(4-bromo-4'-fluoro-5'-isopropyl-2'-methoxybiphenyl-2-yl)methyl]-4-methyl-1,3-oxazolidin-2-one
CID 11556473
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[(4-chloro-4'-fluoro-5'-isopropyl-2'-methoxybiphenyl-2-yl)methyl]-4-methyl-1,3-oxazolidin-2-one
CID 11578015
CID 11592553
CID 11592553
Methyl [3,5-bis(trifluoromethyl)benzyl][(4-cyano-5'-isopropyl-2'-methoxybiphenyl-2-yl)methyl]carbamate
CID 11613843
(4S,5R)-3-[(4-amino-4'-fluoro-5'-isopropyl-2'-methoxybiphenyl-2-yl)methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 11614021
(3,5-Bis-trifluoromethyl-benzyl)-(5'-isopropyl-2'-methoxy-4-trifluoromethyl-biphenyl-2-ylmethyl)-carbamic acid methyl ester
CID 11614176
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[(4-cyclopropyl-4'-fluoro-5'-isopropyl-2'-methoxybiphenyl-2-yl)methyl]-4-methyl-1,3-oxazolidin-2-one
CID 11628674
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[(4'-fluoro-5'-isopropyl-2'-methoxy-4-methylbiphenyl-2-yl)methyl]-4-methyl-1,3-oxazolidin-2-one
CID 11649992
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-{[4'-fluoro-5'-isopropyl-2'-methoxy-4-(methylthio)biphenyl-2-yl]methyl}-4-methyl-1,3-oxazolidin-2-one
CID 11650234

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one (CID 53364079) is (5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one is COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1(C)C.
What is the InChIKey of (5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is DCGKVWUPMGGBHY-AREMUKBSSA-N. The full InChI is InChI=1S/C31H27F10NO3/c1-15(2)22-12-23(25(44-5)13-24(22)32)21-7-6-18(29(33,34)35)10-17(21)14-42-27(43)45-26(28(42,3)4)16-8-19(30(36,37)38)11-20(9-16)31(39,40)41/h6-13,15,26H,14H2,1-5H3/t26-/m1/s1.
What are the key properties of (5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one?
(5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 651.54 g/mol, XLogP of 10.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 53364079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).