(4S)-4-benzyl-3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;4-(3,4-difluorophenyl)-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one;1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-phenylpyrrolidin-2-one

C113H105F21N4O10 — CID 159877808

IUPAC(4S)-4-benzyl-3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;4-(3,4-difluorophenyl)-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one;1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-phenylpyrrolidin-2-one
SMILESCOc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1CC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC1=O.COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)OC[C@@H]1Cc1ccccc1.COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1CC(c2ccc(F)c(F)c2)CC1=O.COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1CC(c2ccccc2)CC1=O
InChIInChI=1S/C29H23F10NO3.C28H26F5NO2.C28H28F3NO3.C28H28F3NO2/c1-14(2)21-10-22(24(42-3)11-23(21)30)20-5-4-17(27(31,32)33)8-16(20)12-40-13-25(43-26(40)41)15-6-18(28(34,35)36)9-19(7-15)29(37,38)39;1-16(2)17-5-9-26(36-3)23(11-17)22-7-6-21(28(31,32)33)10-20(22)15-34-14-19(13-27(34)35)18-4-8-24(29)25(30)12-18;1-18(2)20-9-12-26(34-3)25(15-20)24-11-10-22(28(29,30)31)14-21(24)16-32-23(17-35-27(32)33)13-19-7-5-4-6-8-19;1-18(2)20-9-12-26(34-3)25(14-20)24-11-10-23(28(29,30)31)13-22(24)17-32-16-21(15-27(32)33)19-7-5-4-6-8-19/h4-11,14,25H,12-13H2,1-3H3;4-12,16,19H,13-15H2,1-3H3;4-12,14-15,18,23H,13,16-17H2,1-3H3;4-14,18,21H,15-17H2,1-3H3/t;;23-;/m..0./s1
InChIKeyNTDBYHUTAZSANU-HWAUWHQLSA-N
MW2078.06 g/mol
LogP30.76
Rot. Bonds25

About (4S)-4-benzyl-3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;4-(3,4-difluorophenyl)-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one;1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-phenylpyrrolidin-2-one

(4S)-4-benzyl-3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;4-(3,4-difluorophenyl)-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one;1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-phenylpyrrolidin-2-one (PubChem CID 159877808) has the molecular formula C113H105F21N4O10 and a molecular weight of 2078.06 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;4-(3,4-difluorophenyl)-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one;1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;4-(3,4-difluorophenyl)-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one;1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-phenylpyrrolidin-2-one
PubChem CID159877808
Molecular FormulaC113H105F21N4O10
Molecular Weight2078.06 g/mol
Exact Mass2076.75
IUPAC Name(4S)-4-benzyl-3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;4-(3,4-difluorophenyl)-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one;1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-phenylpyrrolidin-2-one
SMILESCOc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1CC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC1=O.COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)OC[C@@H]1Cc1ccccc1.COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1CC(c2ccc(F)c(F)c2)CC1=O.COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1CC(c2ccccc2)CC1=O
InChIInChI=1S/C29H23F10NO3.C28H26F5NO2.C28H28F3NO3.C28H28F3NO2/c1-14(2)21-10-22(24(42-3)11-23(21)30)20-5-4-17(27(31,32)33)8-16(20)12-40-13-25(43-26(40)41)15-6-18(28(34,35)36)9-19(7-15)29(37,38)39;1-16(2)17-5-9-26(36-3)23(11-17)22-7-6-21(28(31,32)33)10-20(22)15-34-14-19(13-27(34)35)18-4-8-24(29)25(30)12-18;1-18(2)20-9-12-26(34-3)25(15-20)24-11-10-22(28(29,30)31)14-21(24)16-32-23(17-35-27(32)33)13-19-7-5-4-6-8-19;1-18(2)20-9-12-26(34-3)25(14-20)24-11-10-23(28(29,30)31)13-22(24)17-32-16-21(15-27(32)33)19-7-5-4-6-8-19/h4-11,14,25H,12-13H2,1-3H3;4-12,16,19H,13-15H2,1-3H3;4-12,14-15,18,23H,13,16-17H2,1-3H3;4-14,18,21H,15-17H2,1-3H3/t;;23-;/m..0./s1
InChIKeyNTDBYHUTAZSANU-HWAUWHQLSA-N
XLogP30.76
TPSA136.62 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds25
Heavy Atoms148
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002078.06
LogP ≤ 530.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze (4S)-4-benzyl-3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;4-(3,4-difluorophenyl)-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one;1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-phenylpyrrolidin-2-one with MolForge

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Related Compounds

(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[(4'-fluoro-4,5'-diisopropyl-2'-methoxybiphenyl-2-yl)methyl]-4-methyl-1,3-oxazolidin-2-one
CID 11657340
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(2-methoxy-5-phenylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
CID 16220197
4-[3-[2-[(1R,5S,7aS)-1-[3,5-bis(trifluoromethyl)phenyl]-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-yl]-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]cyclohexane-1-carboxylic acid
CID 71526200
3-[3-[2-[(1R,5S,7aS)-1-[3,5-bis(trifluoromethyl)phenyl]-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-yl]-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]cyclobutane-1-carboxylic acid
CID 71526637
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-{[6'-methoxy-2''-methyl-4-(trifluoromethyl)-1,1':3',1''-terphenyl-2-yl]methyl}-4-methyl-1,3-oxazolidin-2-one
CID 86630540
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[5-(cyclopenten-1-yl)-2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
CID 57394194
(1R,5S,7aS)-1-[3,5-bis(trifluoromethyl)phenyl]-5-[2-[2-methoxy-5-[(2R,3R)-2-methyl-6-oxopiperidin-3-yl]phenyl]-5-(trifluoromethyl)phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
CID 164611931
3-[3-[2-[(1R,5S,7aS)-1-[3,5-bis(trifluoromethyl)phenyl]-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-yl]-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]butanoic acid
CID 164616043
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[5-(2-fluorophenyl)-2-methoxyphenyl]-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
CID 164627393
(1R,5S,7aS)-1-[3,5-bis(trifluoromethyl)phenyl]-5-[2-[2-methoxy-5-(2-methyl-6-oxopiperidin-3-yl)phenyl]-5-(trifluoromethyl)phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
CID 71526555
methyl 4-[5-[2-[(1R,5S,7aS)-1-[3,5-bis(trifluoromethyl)phenyl]-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-yl]-4-(trifluoromethyl)phenyl]-2-fluoro-4-methoxyphenyl]-3-methylbenzoate
CID 71526635
(1R,5S,7aS)-1-[3,5-bis(trifluoromethyl)phenyl]-5-[2-[2-methoxy-5-[(2S,3S)-2-methyl-5-oxopyrrolidin-3-yl]phenyl]-5-(trifluoromethyl)phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
CID 89522372

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;4-(3,4-difluorophenyl)-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one;1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-phenylpyrrolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;4-(3,4-difluorophenyl)-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one;1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-phenylpyrrolidin-2-one (CID 159877808) is (4S)-4-benzyl-3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;4-(3,4-difluorophenyl)-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one;1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-phenylpyrrolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;4-(3,4-difluorophenyl)-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one;1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-phenylpyrrolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;4-(3,4-difluorophenyl)-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one;1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-phenylpyrrolidin-2-one is COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1CC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC1=O.COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)OC[C@@H]1Cc1ccccc1.COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1CC(c2ccc(F)c(F)c2)CC1=O.COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1CC(c2ccccc2)CC1=O.
What is the InChIKey of (4S)-4-benzyl-3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;4-(3,4-difluorophenyl)-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one;1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-phenylpyrrolidin-2-one?
The InChIKey is NTDBYHUTAZSANU-HWAUWHQLSA-N. The full InChI is InChI=1S/C29H23F10NO3.C28H26F5NO2.C28H28F3NO3.C28H28F3NO2/c1-14(2)21-10-22(24(42-3)11-23(21)30)20-5-4-17(27(31,32)33)8-16(20)12-40-13-25(43-26(40)41)15-6-18(28(34,35)36)9-19(7-15)29(37,38)39;1-16(2)17-5-9-26(36-3)23(11-17)22-7-6-21(28(31,32)33)10-20(22)15-34-14-19(13-27(34)35)18-4-8-24(29)25(30)12-18;1-18(2)20-9-12-26(34-3)25(15-20)24-11-10-22(28(29,30)31)14-21(24)16-32-23(17-35-27(32)33)13-19-7-5-4-6-8-19;1-18(2)20-9-12-26(34-3)25(14-20)24-11-10-23(28(29,30)31)13-22(24)17-32-16-21(15-27(32)33)19-7-5-4-6-8-19/h4-11,14,25H,12-13H2,1-3H3;4-12,16,19H,13-15H2,1-3H3;4-12,14-15,18,23H,13,16-17H2,1-3H3;4-14,18,21H,15-17H2,1-3H3/t;;23-;/m..0./s1.
What are the key properties of (4S)-4-benzyl-3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;4-(3,4-difluorophenyl)-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one;1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-phenylpyrrolidin-2-one?
(4S)-4-benzyl-3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;4-(3,4-difluorophenyl)-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one;1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-phenylpyrrolidin-2-one has a molecular weight of 2078.06 g/mol, XLogP of 30.76, 25 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;4-(3,4-difluorophenyl)-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one;1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-phenylpyrrolidin-2-one is sourced from PubChem (CID 159877808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).