(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[2-methoxy-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]cyclohexen-1-yl]methyl]-4-methyl-1,3-oxazolidin-2-one

C31H31F6N3O4 — CID 70675460

IUPAC(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[2-methoxy-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]cyclohexen-1-yl]methyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCOc1ccc(-c2nc(C(C)C)no2)cc1C1=C(CN2C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)CCCC1
InChIInChI=1S/C31H31F6N3O4/c1-16(2)27-38-28(44-39-27)18-9-10-25(42-4)24(13-18)23-8-6-5-7-19(23)15-40-17(3)26(43-29(40)41)20-11-21(30(32,33)34)14-22(12-20)31(35,36)37/h9-14,16-17,26H,5-8,15H2,1-4H3/t17-,26-/m0/s1
InChIKeySJHRCILJSLJYJM-QLXKLKPCSA-N
MW623.59 g/mol
LogP8.82
Rot. Bonds7

About (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[2-methoxy-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]cyclohexen-1-yl]methyl]-4-methyl-1,3-oxazolidin-2-one

(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[2-methoxy-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]cyclohexen-1-yl]methyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 70675460) has the molecular formula C31H31F6N3O4 and a molecular weight of 623.59 g/mol. Its IUPAC name is (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[2-methoxy-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]cyclohexen-1-yl]methyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[2-methoxy-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]cyclohexen-1-yl]methyl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID70675460
Molecular FormulaC31H31F6N3O4
Molecular Weight623.59 g/mol
Exact Mass623.22
IUPAC Name(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[2-methoxy-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]cyclohexen-1-yl]methyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCOc1ccc(-c2nc(C(C)C)no2)cc1C1=C(CN2C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)CCCC1
InChIInChI=1S/C31H31F6N3O4/c1-16(2)27-38-28(44-39-27)18-9-10-25(42-4)24(13-18)23-8-6-5-7-19(23)15-40-17(3)26(43-29(40)41)20-11-21(30(32,33)34)14-22(12-20)31(35,36)37/h9-14,16-17,26H,5-8,15H2,1-4H3/t17-,26-/m0/s1
InChIKeySJHRCILJSLJYJM-QLXKLKPCSA-N
XLogP8.82
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.59
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[2-methoxy-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]cyclohexen-1-yl]methyl]-4-methyl-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

Related Compounds

3-(3-Methyl-4-{5-[4-(propan-2-yloxy)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}phenyl)butanoic acid
CID 11496072
2-Methyl-3-(3-methyl-4-{5-[4-(propan-2-yloxy)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}phenyl)propanoic acid
CID 11662328
3-(3-Methyl-4-{5-[4-(propan-2-yloxy)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}phenyl)propanoic acid
CID 24825338
3-[3,5-Bis(trifluoromethyl)phenyl]-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole
CID 2810519
3-(4-(5-(4-Ethoxy-3-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-3-yl)-3-methylphenyl)propanoic acid
CID 44412867
(R)-2-isopropoxy-5-(3-(1-(2-oxooxazolidin-3-yl)-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl)benzonitrile
CID 52939655
WB86Ybx7HF
CID 52939784
3-(4-(5-(4-Methoxy-3-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-3-yl)-3-methylphenyl)propanoic acid
CID 44412868
5-[4-({1-[(3-Fluorophenyl)acetyl]azetidin-3-yl}oxy)phenyl]-3-phenyl-1,2,4-oxadiazole
CID 91905486
(5-methyl-2-phenylphenyl)-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 73774711
(5-methoxy-2-phenylphenyl)-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 73775856
(2-phenylphenyl)-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 117871422

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[2-methoxy-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]cyclohexen-1-yl]methyl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[2-methoxy-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]cyclohexen-1-yl]methyl]-4-methyl-1,3-oxazolidin-2-one (CID 70675460) is (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[2-methoxy-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]cyclohexen-1-yl]methyl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[2-methoxy-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]cyclohexen-1-yl]methyl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[2-methoxy-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]cyclohexen-1-yl]methyl]-4-methyl-1,3-oxazolidin-2-one is COc1ccc(-c2nc(C(C)C)no2)cc1C1=C(CN2C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)CCCC1.
What is the InChIKey of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[2-methoxy-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]cyclohexen-1-yl]methyl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is SJHRCILJSLJYJM-QLXKLKPCSA-N. The full InChI is InChI=1S/C31H31F6N3O4/c1-16(2)27-38-28(44-39-27)18-9-10-25(42-4)24(13-18)23-8-6-5-7-19(23)15-40-17(3)26(43-29(40)41)20-11-21(30(32,33)34)14-22(12-20)31(35,36)37/h9-14,16-17,26H,5-8,15H2,1-4H3/t17-,26-/m0/s1.
What are the key properties of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[2-methoxy-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]cyclohexen-1-yl]methyl]-4-methyl-1,3-oxazolidin-2-one?
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[2-methoxy-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]cyclohexen-1-yl]methyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 623.59 g/mol, XLogP of 8.82, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[2-methoxy-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]cyclohexen-1-yl]methyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 70675460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).