5-(3-chloro-2-pyridinyl)-N-[1-[(1S)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-(3-chloro-2-pyridinyl)-N-[1-[(1R)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-(3-chloro-2-pyridinyl)-N-[1-[1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-(3-chloro-2-pyridinyl)-N-[1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[1-[cyclopropyl-[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

C133H104Cl4F18N30O12 — CID 159279041

IUPAC5-(3-chloro-2-pyridinyl)-N-[1-[(1S)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-(3-chloro-2-pyridinyl)-N-[1-[(1R)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-(3-chloro-2-pyridinyl)-N-[1-[1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-(3-chloro-2-pyridinyl)-N-[1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[1-[cyclopropyl-[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESCc1ccc(C(C)n2cc(NC(=O)c3cc(-c4ncccc4Cl)on3)cn2)c(C(F)(F)F)c1.Cc1ccc(C(C2CC2)n2cc(NC(=O)c3cc(-c4ccccn4)on3)cn2)c(C(F)(F)F)c1.Cc1ccc(Cn2cc(NC(=O)c3cc(-c4ncccc4Cl)on3)cn2)c(C(F)(F)F)c1.Cc1ccc([C@@H](C)n2cc(NC(=O)c3cc(-c4cccnc4)on3)cn2)c(C(F)(F)F)c1.Cc1ccc([C@@H](C)n2cc(NC(=O)c3cc(-c4ncccc4Cl)on3)cn2)c(C(F)(F)F)c1.Cc1ccc([C@H](C)n2cc(NC(=O)c3cc(-c4ncccc4Cl)on3)cn2)c(C(F)(F)F)c1
InChIInChI=1S/C24H20F3N5O2.3C22H17ClF3N5O2.C22H18F3N5O2.C21H15ClF3N5O2/c1-14-5-8-17(18(10-14)24(25,26)27)22(15-6-7-15)32-13-16(12-29-32)30-23(33)20-11-21(34-31-20)19-4-2-3-9-28-19;3*1-12-5-6-15(16(8-12)22(24,25)26)13(2)31-11-14(10-28-31)29-21(32)18-9-19(33-30-18)20-17(23)4-3-7-27-20;1-13-5-6-17(18(8-13)22(23,24)25)14(2)30-12-16(11-27-30)28-21(31)19-9-20(32-29-19)15-4-3-7-26-10-15;1-12-4-5-13(15(7-12)21(23,24)25)10-30-11-14(9-27-30)28-20(31)17-8-18(32-29-17)19-16(22)3-2-6-26-19/h2-5,8-13,15,22H,6-7H2,1H3,(H,30,33);3*3-11,13H,1-2H3,(H,29,32);3-12,14H,1-2H3,(H,28,31);2-9,11H,10H2,1H3,(H,28,31)/t;2*13-;;14-;/m.10.1./s1
InChIKeyKYRHQKWIHVPQRX-WZVUYNBISA-N
MW2798.27 g/mol
LogP33.17
Rot. Bonds31

About 5-(3-chloro-2-pyridinyl)-N-[1-[(1S)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-(3-chloro-2-pyridinyl)-N-[1-[(1R)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-(3-chloro-2-pyridinyl)-N-[1-[1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-(3-chloro-2-pyridinyl)-N-[1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[1-[cyclopropyl-[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

5-(3-chloro-2-pyridinyl)-N-[1-[(1S)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-(3-chloro-2-pyridinyl)-N-[1-[(1R)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-(3-chloro-2-pyridinyl)-N-[1-[1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-(3-chloro-2-pyridinyl)-N-[1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[1-[cyclopropyl-[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (PubChem CID 159279041) has the molecular formula C133H104Cl4F18N30O12 and a molecular weight of 2798.27 g/mol. Its IUPAC name is 5-(3-chloro-2-pyridinyl)-N-[1-[(1S)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-(3-chloro-2-pyridinyl)-N-[1-[(1R)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-(3-chloro-2-pyridinyl)-N-[1-[1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-(3-chloro-2-pyridinyl)-N-[1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[1-[cyclopropyl-[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-chloro-2-pyridinyl)-N-[1-[(1S)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-(3-chloro-2-pyridinyl)-N-[1-[(1R)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-(3-chloro-2-pyridinyl)-N-[1-[1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-(3-chloro-2-pyridinyl)-N-[1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[1-[cyclopropyl-[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
PubChem CID159279041
Molecular FormulaC133H104Cl4F18N30O12
Molecular Weight2798.27 g/mol
Exact Mass2794.69
IUPAC Name5-(3-chloro-2-pyridinyl)-N-[1-[(1S)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-(3-chloro-2-pyridinyl)-N-[1-[(1R)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-(3-chloro-2-pyridinyl)-N-[1-[1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-(3-chloro-2-pyridinyl)-N-[1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[1-[cyclopropyl-[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESCc1ccc(C(C)n2cc(NC(=O)c3cc(-c4ncccc4Cl)on3)cn2)c(C(F)(F)F)c1.Cc1ccc(C(C2CC2)n2cc(NC(=O)c3cc(-c4ccccn4)on3)cn2)c(C(F)(F)F)c1.Cc1ccc(Cn2cc(NC(=O)c3cc(-c4ncccc4Cl)on3)cn2)c(C(F)(F)F)c1.Cc1ccc([C@@H](C)n2cc(NC(=O)c3cc(-c4cccnc4)on3)cn2)c(C(F)(F)F)c1.Cc1ccc([C@@H](C)n2cc(NC(=O)c3cc(-c4ncccc4Cl)on3)cn2)c(C(F)(F)F)c1.Cc1ccc([C@H](C)n2cc(NC(=O)c3cc(-c4ncccc4Cl)on3)cn2)c(C(F)(F)F)c1
InChIInChI=1S/C24H20F3N5O2.3C22H17ClF3N5O2.C22H18F3N5O2.C21H15ClF3N5O2/c1-14-5-8-17(18(10-14)24(25,26)27)22(15-6-7-15)32-13-16(12-29-32)30-23(33)20-11-21(34-31-20)19-4-2-3-9-28-19;3*1-12-5-6-15(16(8-12)22(24,25)26)13(2)31-11-14(10-28-31)29-21(32)18-9-19(33-30-18)20-17(23)4-3-7-27-20;1-13-5-6-17(18(8-13)22(23,24)25)14(2)30-12-16(11-27-30)28-21(31)19-9-20(32-29-19)15-4-3-7-26-10-15;1-12-4-5-13(15(7-12)21(23,24)25)10-30-11-14(9-27-30)28-20(31)17-8-18(32-29-17)19-16(22)3-2-6-26-19/h2-5,8-13,15,22H,6-7H2,1H3,(H,30,33);3*3-11,13H,1-2H3,(H,29,32);3-12,14H,1-2H3,(H,28,31);2-9,11H,10H2,1H3,(H,28,31)/t;2*13-;;14-;/m.10.1./s1
InChIKeyKYRHQKWIHVPQRX-WZVUYNBISA-N
XLogP33.17
TPSA515.04 Ų
H-Bond Donors6
H-Bond Acceptors36
Rotatable Bonds31
Heavy Atoms197
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002798.27
LogP ≤ 533.17
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1036

Analyze 5-(3-chloro-2-pyridinyl)-N-[1-[(1S)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-(3-chloro-2-pyridinyl)-N-[1-[(1R)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-(3-chloro-2-pyridinyl)-N-[1-[1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-(3-chloro-2-pyridinyl)-N-[1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[1-[cyclopropyl-[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-(3-chloropyridin-2-yl)-1,2-oxazole-3-carboxamide
CID 149226772
N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-(3-chloropyridin-2-yl)-1,2-oxazole-3-carboxamide
CID 149226773
N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-(3-chloropyridin-2-yl)-1,2-oxazole-3-carboxamide
CID 149226774
N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(3-chloropyridin-2-yl)-1,2-oxazole-3-carboxamide
CID 151929380
4-aminochloranuidyl-1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazole;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-(3-chloro-2-pyridinyl)-1,2-oxazole-3-carboxamide;5-(3-chloro-2-pyridinyl)-1,2-oxazole-3-carboxylic acid
CID 157439983
1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-pyridin-2-yl-1,2-oxazole-5-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-pyridin-2-yl-1,2-oxazole-5-carboxamide;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-pyridin-2-yl-1,2-oxazole-5-carboxamide;3-pyridin-2-yl-1,2-oxazole-5-carboxylic acid
CID 157989686
N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-3-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-3-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-3-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 158021807
5-cyclopropyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-1,2-oxazole-3-carboxamide;1,3-dimethyl-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]pyrazole-4-carboxamide;2,5-dimethyl-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]pyrazole-3-carboxamide;1-ethyl-3-methyl-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]pyrazole-4-carboxamide;1-methyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;3-methyl-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide;N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 158052039
1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-5-methyl-4-nitropyrazole;bis(1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-amine);N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;5-pyridin-2-yl-1,2-oxazole-3-carboxylic acid;hydrochloride
CID 158055166
4-aminochloranuidyl-1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazole;N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(6-methyl-2-pyridinyl)-1,2-oxazole-3-carboxamide;5-(6-methyl-2-pyridinyl)-1,2-oxazole-3-carboxylic acid
CID 158231615
lithium;[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-imino-lambda3-chlorane;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrazin-2-yl-1,2-oxazole-3-carboxamide;diethyl oxalate;ethyl 2,4-dioxo-4-pyrazin-2-ylbutanoate;ethyl 5-pyrazin-2-yl-1,2-oxazole-3-carboxylate;hydroxylamine;methane;1-pyrazin-2-ylethanone;5-pyrazin-2-yl-1,2-oxazole-3-carboxylic acid;hydroxide
CID 158519729
4-aminochloranuidyl-1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazole;N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-pyrazin-2-yl-1,2-oxazole-3-carboxamide;5-pyrazin-2-yl-1,2-oxazole-3-carboxylic acid
CID 158725496

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-pyridinyl)-N-[1-[(1S)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-(3-chloro-2-pyridinyl)-N-[1-[(1R)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-(3-chloro-2-pyridinyl)-N-[1-[1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-(3-chloro-2-pyridinyl)-N-[1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[1-[cyclopropyl-[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3-chloro-2-pyridinyl)-N-[1-[(1S)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-(3-chloro-2-pyridinyl)-N-[1-[(1R)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-(3-chloro-2-pyridinyl)-N-[1-[1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-(3-chloro-2-pyridinyl)-N-[1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[1-[cyclopropyl-[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (CID 159279041) is 5-(3-chloro-2-pyridinyl)-N-[1-[(1S)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-(3-chloro-2-pyridinyl)-N-[1-[(1R)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-(3-chloro-2-pyridinyl)-N-[1-[1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-(3-chloro-2-pyridinyl)-N-[1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[1-[cyclopropyl-[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3-chloro-2-pyridinyl)-N-[1-[(1S)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-(3-chloro-2-pyridinyl)-N-[1-[(1R)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-(3-chloro-2-pyridinyl)-N-[1-[1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-(3-chloro-2-pyridinyl)-N-[1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[1-[cyclopropyl-[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3-chloro-2-pyridinyl)-N-[1-[(1S)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-(3-chloro-2-pyridinyl)-N-[1-[(1R)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-(3-chloro-2-pyridinyl)-N-[1-[1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-(3-chloro-2-pyridinyl)-N-[1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[1-[cyclopropyl-[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is Cc1ccc(C(C)n2cc(NC(=O)c3cc(-c4ncccc4Cl)on3)cn2)c(C(F)(F)F)c1.Cc1ccc(C(C2CC2)n2cc(NC(=O)c3cc(-c4ccccn4)on3)cn2)c(C(F)(F)F)c1.Cc1ccc(Cn2cc(NC(=O)c3cc(-c4ncccc4Cl)on3)cn2)c(C(F)(F)F)c1.Cc1ccc([C@@H](C)n2cc(NC(=O)c3cc(-c4cccnc4)on3)cn2)c(C(F)(F)F)c1.Cc1ccc([C@@H](C)n2cc(NC(=O)c3cc(-c4ncccc4Cl)on3)cn2)c(C(F)(F)F)c1.Cc1ccc([C@H](C)n2cc(NC(=O)c3cc(-c4ncccc4Cl)on3)cn2)c(C(F)(F)F)c1.
What is the InChIKey of 5-(3-chloro-2-pyridinyl)-N-[1-[(1S)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-(3-chloro-2-pyridinyl)-N-[1-[(1R)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-(3-chloro-2-pyridinyl)-N-[1-[1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-(3-chloro-2-pyridinyl)-N-[1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[1-[cyclopropyl-[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The InChIKey is KYRHQKWIHVPQRX-WZVUYNBISA-N. The full InChI is InChI=1S/C24H20F3N5O2.3C22H17ClF3N5O2.C22H18F3N5O2.C21H15ClF3N5O2/c1-14-5-8-17(18(10-14)24(25,26)27)22(15-6-7-15)32-13-16(12-29-32)30-23(33)20-11-21(34-31-20)19-4-2-3-9-28-19;3*1-12-5-6-15(16(8-12)22(24,25)26)13(2)31-11-14(10-28-31)29-21(32)18-9-19(33-30-18)20-17(23)4-3-7-27-20;1-13-5-6-17(18(8-13)22(23,24)25)14(2)30-12-16(11-27-30)28-21(31)19-9-20(32-29-19)15-4-3-7-26-10-15;1-12-4-5-13(15(7-12)21(23,24)25)10-30-11-14(9-27-30)28-20(31)17-8-18(32-29-17)19-16(22)3-2-6-26-19/h2-5,8-13,15,22H,6-7H2,1H3,(H,30,33);3*3-11,13H,1-2H3,(H,29,32);3-12,14H,1-2H3,(H,28,31);2-9,11H,10H2,1H3,(H,28,31)/t;2*13-;;14-;/m.10.1./s1.
What are the key properties of 5-(3-chloro-2-pyridinyl)-N-[1-[(1S)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-(3-chloro-2-pyridinyl)-N-[1-[(1R)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-(3-chloro-2-pyridinyl)-N-[1-[1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-(3-chloro-2-pyridinyl)-N-[1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[1-[cyclopropyl-[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
5-(3-chloro-2-pyridinyl)-N-[1-[(1S)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-(3-chloro-2-pyridinyl)-N-[1-[(1R)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-(3-chloro-2-pyridinyl)-N-[1-[1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-(3-chloro-2-pyridinyl)-N-[1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[1-[cyclopropyl-[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide has a molecular weight of 2798.27 g/mol, XLogP of 33.17, 31 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-pyridinyl)-N-[1-[(1S)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-(3-chloro-2-pyridinyl)-N-[1-[(1R)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-(3-chloro-2-pyridinyl)-N-[1-[1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-(3-chloro-2-pyridinyl)-N-[1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[1-[cyclopropyl-[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 159279041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).