(2R)-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(oxan-4-yl)ethylamino]phenyl]-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropanamide;4-[2-[(2S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-yl]-1-[2-(oxan-4-yl)ethyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-[(2R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-yl]-1-[2-(oxan-4-yl)ethyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

C87H95F12N9O10 — CID 161077742

IUPAC(2R)-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(oxan-4-yl)ethylamino]phenyl]-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropanamide;4-[2-[(2S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-yl]-1-[2-(oxan-4-yl)ethyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-[(2R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-yl]-1-[2-(oxan-4-yl)ethyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc(NCCC2CCOCC2)c(NC(=O)[C@H](C)Cc2ccc(OC(F)(F)F)c(F)c2)c1.Cc1noc(C)c1-c1ccc2c(c1)nc([C@@H](C)Cc1ccc(OC(F)(F)F)c(F)c1)n2CCC1CCOCC1.Cc1noc(C)c1-c1ccc2c(c1)nc([C@H](C)Cc1ccc(OC(F)(F)F)c(F)c1)n2CCC1CCOCC1
InChIInChI=1S/C29H33F4N3O4.2C29H31F4N3O3/c1-17(14-21-4-7-26(23(30)15-21)39-29(31,32)33)28(37)35-25-16-22(27-18(2)36-40-19(27)3)5-6-24(25)34-11-8-20-9-12-38-13-10-20;2*1-17(14-21-4-7-26(23(30)15-21)38-29(31,32)33)28-34-24-16-22(27-18(2)35-39-19(27)3)5-6-25(24)36(28)11-8-20-9-12-37-13-10-20/h4-7,15-17,20,34H,8-14H2,1-3H3,(H,35,37);2*4-7,15-17,20H,8-14H2,1-3H3/t3*17-/m110/s1
InChIKeyUFMUOPUYHUURBP-SOLSQYRBSA-N
MW1654.75 g/mol
LogP22.06
Rot. Bonds26

About (2R)-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(oxan-4-yl)ethylamino]phenyl]-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropanamide;4-[2-[(2S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-yl]-1-[2-(oxan-4-yl)ethyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-[(2R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-yl]-1-[2-(oxan-4-yl)ethyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

(2R)-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(oxan-4-yl)ethylamino]phenyl]-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropanamide;4-[2-[(2S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-yl]-1-[2-(oxan-4-yl)ethyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-[(2R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-yl]-1-[2-(oxan-4-yl)ethyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 161077742) has the molecular formula C87H95F12N9O10 and a molecular weight of 1654.75 g/mol. Its IUPAC name is (2R)-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(oxan-4-yl)ethylamino]phenyl]-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropanamide;4-[2-[(2S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-yl]-1-[2-(oxan-4-yl)ethyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-[(2R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-yl]-1-[2-(oxan-4-yl)ethyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name(2R)-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(oxan-4-yl)ethylamino]phenyl]-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropanamide;4-[2-[(2S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-yl]-1-[2-(oxan-4-yl)ethyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-[(2R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-yl]-1-[2-(oxan-4-yl)ethyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID161077742
Molecular FormulaC87H95F12N9O10
Molecular Weight1654.75 g/mol
Exact Mass1653.70
IUPAC Name(2R)-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(oxan-4-yl)ethylamino]phenyl]-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropanamide;4-[2-[(2S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-yl]-1-[2-(oxan-4-yl)ethyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-[(2R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-yl]-1-[2-(oxan-4-yl)ethyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc(NCCC2CCOCC2)c(NC(=O)[C@H](C)Cc2ccc(OC(F)(F)F)c(F)c2)c1.Cc1noc(C)c1-c1ccc2c(c1)nc([C@@H](C)Cc1ccc(OC(F)(F)F)c(F)c1)n2CCC1CCOCC1.Cc1noc(C)c1-c1ccc2c(c1)nc([C@H](C)Cc1ccc(OC(F)(F)F)c(F)c1)n2CCC1CCOCC1
InChIInChI=1S/C29H33F4N3O4.2C29H31F4N3O3/c1-17(14-21-4-7-26(23(30)15-21)39-29(31,32)33)28(37)35-25-16-22(27-18(2)36-40-19(27)3)5-6-24(25)34-11-8-20-9-12-38-13-10-20;2*1-17(14-21-4-7-26(23(30)15-21)38-29(31,32)33)28-34-24-16-22(27-18(2)35-39-19(27)3)5-6-25(24)36(28)11-8-20-9-12-37-13-10-20/h4-7,15-17,20,34H,8-14H2,1-3H3,(H,35,37);2*4-7,15-17,20H,8-14H2,1-3H3/t3*17-/m110/s1
InChIKeyUFMUOPUYHUURBP-SOLSQYRBSA-N
XLogP22.06
TPSA210.24 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds26
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001654.75
LogP ≤ 522.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Analyze (2R)-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(oxan-4-yl)ethylamino]phenyl]-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropanamide;4-[2-[(2S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-yl]-1-[2-(oxan-4-yl)ethyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-[(2R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-yl]-1-[2-(oxan-4-yl)ethyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole with MolForge

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Related Compounds

4-[2-[5-(3,5-Dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]benzimidazol-1-yl]ethyl]morpholine
CID 127036063
4-[2-[5-(3,5-Dimethyl-1,2-oxazol-4-yl)-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]benzimidazol-1-yl]ethyl]morpholine
CID 137644823
(3S,5S)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]-3-fluoro-1-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-one
CID 177380225
(3S,5S)-1-(3,4-difluoro-5-methoxyphenyl)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]-3-fluoropyrrolidin-2-one
CID 177380231
(3S,5S)-1-(2,3-dihydro-1-benzofuran-5-yl)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]-3-fluoropyrrolidin-2-one
CID 177380232
2-[4-[2-[(2S)-1-(3,4-difluorophenyl)-6-oxopiperidin-2-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]piperidin-1-yl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethyl]acetamide
CID 177659404
2-[4-[2-[2-[2-[4-[3-(dimethylamino)propoxy]phenyl]ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]ethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 171934745
2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]benzimidazol-1-yl]-N-(oxolan-3-yl)acetamide
CID 122642099
2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[1-(3-fluoro-4-methoxyphenyl)propan-2-yl]benzimidazol-1-yl]-N-(oxolan-3-yl)acetamide
CID 122642111
4-[2-[1-(3-Fluoro-4-methoxyphenyl)propan-2-yl]-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 122642133
4-[2-[1-[3-Fluoro-4-(trifluoromethoxy)phenyl]propan-2-yl]-1-[2-(oxan-4-yl)ethyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 122642142
4-[2-[1-[3-Fluoro-4-(trifluoromethoxy)phenyl]propan-2-yl]-1-(1-methylpyrrolidin-3-yl)benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 122642194

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(oxan-4-yl)ethylamino]phenyl]-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropanamide;4-[2-[(2S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-yl]-1-[2-(oxan-4-yl)ethyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-[(2R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-yl]-1-[2-(oxan-4-yl)ethyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of (2R)-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(oxan-4-yl)ethylamino]phenyl]-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropanamide;4-[2-[(2S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-yl]-1-[2-(oxan-4-yl)ethyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-[(2R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-yl]-1-[2-(oxan-4-yl)ethyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (CID 161077742) is (2R)-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(oxan-4-yl)ethylamino]phenyl]-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropanamide;4-[2-[(2S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-yl]-1-[2-(oxan-4-yl)ethyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-[(2R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-yl]-1-[2-(oxan-4-yl)ethyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for (2R)-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(oxan-4-yl)ethylamino]phenyl]-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropanamide;4-[2-[(2S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-yl]-1-[2-(oxan-4-yl)ethyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-[(2R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-yl]-1-[2-(oxan-4-yl)ethyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for (2R)-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(oxan-4-yl)ethylamino]phenyl]-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropanamide;4-[2-[(2S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-yl]-1-[2-(oxan-4-yl)ethyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-[(2R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-yl]-1-[2-(oxan-4-yl)ethyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1ccc(NCCC2CCOCC2)c(NC(=O)[C@H](C)Cc2ccc(OC(F)(F)F)c(F)c2)c1.Cc1noc(C)c1-c1ccc2c(c1)nc([C@@H](C)Cc1ccc(OC(F)(F)F)c(F)c1)n2CCC1CCOCC1.Cc1noc(C)c1-c1ccc2c(c1)nc([C@H](C)Cc1ccc(OC(F)(F)F)c(F)c1)n2CCC1CCOCC1.
What is the InChIKey of (2R)-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(oxan-4-yl)ethylamino]phenyl]-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropanamide;4-[2-[(2S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-yl]-1-[2-(oxan-4-yl)ethyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-[(2R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-yl]-1-[2-(oxan-4-yl)ethyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is UFMUOPUYHUURBP-SOLSQYRBSA-N. The full InChI is InChI=1S/C29H33F4N3O4.2C29H31F4N3O3/c1-17(14-21-4-7-26(23(30)15-21)39-29(31,32)33)28(37)35-25-16-22(27-18(2)36-40-19(27)3)5-6-24(25)34-11-8-20-9-12-38-13-10-20;2*1-17(14-21-4-7-26(23(30)15-21)38-29(31,32)33)28-34-24-16-22(27-18(2)35-39-19(27)3)5-6-25(24)36(28)11-8-20-9-12-37-13-10-20/h4-7,15-17,20,34H,8-14H2,1-3H3,(H,35,37);2*4-7,15-17,20H,8-14H2,1-3H3/t3*17-/m110/s1.
What are the key properties of (2R)-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(oxan-4-yl)ethylamino]phenyl]-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropanamide;4-[2-[(2S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-yl]-1-[2-(oxan-4-yl)ethyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-[(2R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-yl]-1-[2-(oxan-4-yl)ethyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
(2R)-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(oxan-4-yl)ethylamino]phenyl]-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropanamide;4-[2-[(2S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-yl]-1-[2-(oxan-4-yl)ethyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-[(2R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-yl]-1-[2-(oxan-4-yl)ethyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 1654.75 g/mol, XLogP of 22.06, 26 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(oxan-4-yl)ethylamino]phenyl]-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropanamide;4-[2-[(2S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-yl]-1-[2-(oxan-4-yl)ethyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-[(2R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-2-yl]-1-[2-(oxan-4-yl)ethyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 161077742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).