N-[3-(aminomethyl)-1-(4-tert-butylphenyl)pyrazol-4-yl]-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-(3-tert-butyl-1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-(3-tert-butyl-1-methylpyrazol-4-yl)-2-pyridin-4-yl-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-carbamoylpyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-(difluoromethyl)pyrazol-4-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-(difluoromethyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide

C153H165F9N40O15 — CID 159240517

IUPACN-[3-(aminomethyl)-1-(4-tert-butylphenyl)pyrazol-4-yl]-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-(3-tert-butyl-1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-(3-tert-butyl-1-methylpyrazol-4-yl)-2-pyridin-4-yl-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-carbamoylpyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-(difluoromethyl)pyrazol-4-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-(difluoromethyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide
SMILESCC(C)(C)c1ccc(-n2cc(NC(=O)c3coc(-c4ccnc(NCC(F)(F)F)c4)n3)c(C(F)F)n2)cc1.CC(C)(C)c1ccc(-n2cc(NC(=O)c3coc(-c4ccnc(NCC5CC5)c4)n3)c(CN)n2)cc1.CC(C)(C)c1ccc(-n2cc(NC(=O)c3coc(-c4ccncc4)n3)c(C(F)F)n2)cc1.CC(C)N1CCC(n2cc(NC(=O)c3coc(-c4ccnc(NCC5CC5)c4)n3)c(C(F)F)n2)CC1.Cc1cc(-c2nc(C(=O)Nc3cn(-c4ccc(C(C)(C)C)cc4)nc3C(N)=O)co2)ccn1.Cn1cc(NC(=O)c2coc(-c3ccncc3)n2)c(C(C)(C)C)n1.Cn1cc(NC(=O)c2cocn2)c(C(C)(C)C)n1
InChIInChI=1S/C27H31N7O2.C25H23F5N6O2.C25H31F2N7O2.C24H24N6O3.C23H21F2N5O2.C17H19N5O2.C12H16N4O2/c1-27(2,3)19-6-8-20(9-7-19)34-15-22(21(13-28)33-34)31-25(35)23-16-36-26(32-23)18-10-11-29-24(12-18)30-14-17-4-5-17;1-24(2,3)15-4-6-16(7-5-15)36-11-17(20(35-36)21(26)27)33-22(37)18-12-38-23(34-18)14-8-9-31-19(10-14)32-13-25(28,29)30;1-15(2)33-9-6-18(7-10-33)34-13-19(22(32-34)23(26)27)30-24(35)20-14-36-25(31-20)17-5-8-28-21(11-17)29-12-16-3-4-16;1-14-11-15(9-10-26-14)23-28-19(13-33-23)22(32)27-18-12-30(29-20(18)21(25)31)17-7-5-16(6-8-17)24(2,3)4;1-23(2,3)15-4-6-16(7-5-15)30-12-17(19(29-30)20(24)25)27-21(31)18-13-32-22(28-18)14-8-10-26-11-9-14;1-17(2,3)14-12(9-22(4)21-14)19-15(23)13-10-24-16(20-13)11-5-7-18-8-6-11;1-12(2,3)10-8(5-16(4)15-10)14-11(17)9-6-18-7-13-9/h6-12,15-17H,4-5,13-14,28H2,1-3H3,(H,29,30)(H,31,35);4-12,21H,13H2,1-3H3,(H,31,32)(H,33,37);5,8,11,13-16,18,23H,3-4,6-7,9-10,12H2,1-2H3,(H,28,29)(H,30,35);5-13H,1-4H3,(H2,25,31)(H,27,32);4-13,20H,1-3H3,(H,27,31);5-10H,1-4H3,(H,19,23);5-7H,1-4H3,(H,14,17)
InChIKeyKUAMEGPQPSGJLP-UHFFFAOYSA-N
MW2975.25 g/mol
LogP30.39
Rot. Bonds39

About N-[3-(aminomethyl)-1-(4-tert-butylphenyl)pyrazol-4-yl]-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-(3-tert-butyl-1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-(3-tert-butyl-1-methylpyrazol-4-yl)-2-pyridin-4-yl-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-carbamoylpyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-(difluoromethyl)pyrazol-4-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-(difluoromethyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide

N-[3-(aminomethyl)-1-(4-tert-butylphenyl)pyrazol-4-yl]-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-(3-tert-butyl-1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-(3-tert-butyl-1-methylpyrazol-4-yl)-2-pyridin-4-yl-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-carbamoylpyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-(difluoromethyl)pyrazol-4-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-(difluoromethyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide (PubChem CID 159240517) has the molecular formula C153H165F9N40O15 and a molecular weight of 2975.25 g/mol. Its IUPAC name is N-[3-(aminomethyl)-1-(4-tert-butylphenyl)pyrazol-4-yl]-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-(3-tert-butyl-1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-(3-tert-butyl-1-methylpyrazol-4-yl)-2-pyridin-4-yl-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-carbamoylpyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-(difluoromethyl)pyrazol-4-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-(difluoromethyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)-1-(4-tert-butylphenyl)pyrazol-4-yl]-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-(3-tert-butyl-1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-(3-tert-butyl-1-methylpyrazol-4-yl)-2-pyridin-4-yl-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-carbamoylpyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-(difluoromethyl)pyrazol-4-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-(difluoromethyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide
PubChem CID159240517
Molecular FormulaC153H165F9N40O15
Molecular Weight2975.25 g/mol
Exact Mass2973.32
IUPAC NameN-[3-(aminomethyl)-1-(4-tert-butylphenyl)pyrazol-4-yl]-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-(3-tert-butyl-1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-(3-tert-butyl-1-methylpyrazol-4-yl)-2-pyridin-4-yl-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-carbamoylpyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-(difluoromethyl)pyrazol-4-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-(difluoromethyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide
SMILESCC(C)(C)c1ccc(-n2cc(NC(=O)c3coc(-c4ccnc(NCC(F)(F)F)c4)n3)c(C(F)F)n2)cc1.CC(C)(C)c1ccc(-n2cc(NC(=O)c3coc(-c4ccnc(NCC5CC5)c4)n3)c(CN)n2)cc1.CC(C)(C)c1ccc(-n2cc(NC(=O)c3coc(-c4ccncc4)n3)c(C(F)F)n2)cc1.CC(C)N1CCC(n2cc(NC(=O)c3coc(-c4ccnc(NCC5CC5)c4)n3)c(C(F)F)n2)CC1.Cc1cc(-c2nc(C(=O)Nc3cn(-c4ccc(C(C)(C)C)cc4)nc3C(N)=O)co2)ccn1.Cn1cc(NC(=O)c2coc(-c3ccncc3)n2)c(C(C)(C)C)n1.Cn1cc(NC(=O)c2cocn2)c(C(C)(C)C)n1
InChIInChI=1S/C27H31N7O2.C25H23F5N6O2.C25H31F2N7O2.C24H24N6O3.C23H21F2N5O2.C17H19N5O2.C12H16N4O2/c1-27(2,3)19-6-8-20(9-7-19)34-15-22(21(13-28)33-34)31-25(35)23-16-36-26(32-23)18-10-11-29-24(12-18)30-14-17-4-5-17;1-24(2,3)15-4-6-16(7-5-15)36-11-17(20(35-36)21(26)27)33-22(37)18-12-38-23(34-18)14-8-9-31-19(10-14)32-13-25(28,29)30;1-15(2)33-9-6-18(7-10-33)34-13-19(22(32-34)23(26)27)30-24(35)20-14-36-25(31-20)17-5-8-28-21(11-17)29-12-16-3-4-16;1-14-11-15(9-10-26-14)23-28-19(13-33-23)22(32)27-18-12-30(29-20(18)21(25)31)17-7-5-16(6-8-17)24(2,3)4;1-23(2,3)15-4-6-16(7-5-15)30-12-17(19(29-30)20(24)25)27-21(31)18-13-32-22(28-18)14-8-10-26-11-9-14;1-17(2,3)14-12(9-22(4)21-14)19-15(23)13-10-24-16(20-13)11-5-7-18-8-6-11;1-12(2,3)10-8(5-16(4)15-10)14-11(17)9-6-18-7-13-9/h6-12,15-17H,4-5,13-14,28H2,1-3H3,(H,29,30)(H,31,35);4-12,21H,13H2,1-3H3,(H,31,32)(H,33,37);5,8,11,13-16,18,23H,3-4,6-7,9-10,12H2,1-2H3,(H,28,29)(H,30,35);5-13H,1-4H3,(H2,25,31)(H,27,32);4-13,20H,1-3H3,(H,27,31);5-10H,1-4H3,(H,19,23);5-7H,1-4H3,(H,14,17)
InChIKeyKUAMEGPQPSGJLP-UHFFFAOYSA-N
XLogP30.39
TPSA696.43 Ų
H-Bond Donors12
H-Bond Acceptors47
Rotatable Bonds39
Heavy Atoms217
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002975.25
LogP ≤ 530.39
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1047

Analyze N-[3-(aminomethyl)-1-(4-tert-butylphenyl)pyrazol-4-yl]-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-(3-tert-butyl-1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-(3-tert-butyl-1-methylpyrazol-4-yl)-2-pyridin-4-yl-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-carbamoylpyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-(difluoromethyl)pyrazol-4-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-(difluoromethyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

N-[3-(difluoromethyl)-1-[4-[2-[2-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]piperidin-1-yl]ethoxy]ethoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)pyridin-4-yl]-1,3-oxazole-4-carboxamide
CID 138727157
PROTAC IRAK4 degrader-1
CID 138727281
N-[3-carbamoyl-1-[4-[[1-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]piperidin-2-yl]methylcarbamoyl]phenyl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)pyridin-4-yl]-1,3-oxazole-4-carboxamide
CID 138727291
N-[3-carbamoyl-1-[4-[[[4-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]morpholin-2-yl]methylamino]methyl]phenyl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)pyridin-4-yl]-1,3-oxazole-4-carboxamide
CID 138727310
N-[3-carbamoyl-1-[4-[[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethyl-methylamino]methyl]phenyl]pyrazol-4-yl]-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide
CID 138727311
2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[1-[4-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]ethoxy]ethylcarbamoyl]phenyl]-3-(trifluoromethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide
CID 138728626
2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide
CID 146598367
2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[1-[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]but-3-ynyl]piperidin-4-yl]methyl-methylcarbamoyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide
CID 158273329
N-[3-carbamoyl-1-[4-[[4-[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]butoxy]butylamino]methyl]cyclohexyl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide
CID 159115245
2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[3-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propoxy]propyl-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide
CID 159944116
N-[3-carbamoyl-1-[4-[[2-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propoxy]ethylamino]methyl]cyclohexyl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide
CID 160179672
2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-[4-[[[(2S)-4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]prop-2-ynyl]morpholin-2-yl]methyl-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide
CID 160748757

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-1-(4-tert-butylphenyl)pyrazol-4-yl]-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-(3-tert-butyl-1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-(3-tert-butyl-1-methylpyrazol-4-yl)-2-pyridin-4-yl-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-carbamoylpyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-(difluoromethyl)pyrazol-4-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-(difluoromethyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[3-(aminomethyl)-1-(4-tert-butylphenyl)pyrazol-4-yl]-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-(3-tert-butyl-1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-(3-tert-butyl-1-methylpyrazol-4-yl)-2-pyridin-4-yl-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-carbamoylpyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-(difluoromethyl)pyrazol-4-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-(difluoromethyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide (CID 159240517) is N-[3-(aminomethyl)-1-(4-tert-butylphenyl)pyrazol-4-yl]-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-(3-tert-butyl-1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-(3-tert-butyl-1-methylpyrazol-4-yl)-2-pyridin-4-yl-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-carbamoylpyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-(difluoromethyl)pyrazol-4-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-(difluoromethyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)-1-(4-tert-butylphenyl)pyrazol-4-yl]-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-(3-tert-butyl-1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-(3-tert-butyl-1-methylpyrazol-4-yl)-2-pyridin-4-yl-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-carbamoylpyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-(difluoromethyl)pyrazol-4-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-(difluoromethyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)-1-(4-tert-butylphenyl)pyrazol-4-yl]-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-(3-tert-butyl-1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-(3-tert-butyl-1-methylpyrazol-4-yl)-2-pyridin-4-yl-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-carbamoylpyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-(difluoromethyl)pyrazol-4-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-(difluoromethyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide is CC(C)(C)c1ccc(-n2cc(NC(=O)c3coc(-c4ccnc(NCC(F)(F)F)c4)n3)c(C(F)F)n2)cc1.CC(C)(C)c1ccc(-n2cc(NC(=O)c3coc(-c4ccnc(NCC5CC5)c4)n3)c(CN)n2)cc1.CC(C)(C)c1ccc(-n2cc(NC(=O)c3coc(-c4ccncc4)n3)c(C(F)F)n2)cc1.CC(C)N1CCC(n2cc(NC(=O)c3coc(-c4ccnc(NCC5CC5)c4)n3)c(C(F)F)n2)CC1.Cc1cc(-c2nc(C(=O)Nc3cn(-c4ccc(C(C)(C)C)cc4)nc3C(N)=O)co2)ccn1.Cn1cc(NC(=O)c2coc(-c3ccncc3)n2)c(C(C)(C)C)n1.Cn1cc(NC(=O)c2cocn2)c(C(C)(C)C)n1.
What is the InChIKey of N-[3-(aminomethyl)-1-(4-tert-butylphenyl)pyrazol-4-yl]-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-(3-tert-butyl-1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-(3-tert-butyl-1-methylpyrazol-4-yl)-2-pyridin-4-yl-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-carbamoylpyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-(difluoromethyl)pyrazol-4-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-(difluoromethyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is KUAMEGPQPSGJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O2.C25H23F5N6O2.C25H31F2N7O2.C24H24N6O3.C23H21F2N5O2.C17H19N5O2.C12H16N4O2/c1-27(2,3)19-6-8-20(9-7-19)34-15-22(21(13-28)33-34)31-25(35)23-16-36-26(32-23)18-10-11-29-24(12-18)30-14-17-4-5-17;1-24(2,3)15-4-6-16(7-5-15)36-11-17(20(35-36)21(26)27)33-22(37)18-12-38-23(34-18)14-8-9-31-19(10-14)32-13-25(28,29)30;1-15(2)33-9-6-18(7-10-33)34-13-19(22(32-34)23(26)27)30-24(35)20-14-36-25(31-20)17-5-8-28-21(11-17)29-12-16-3-4-16;1-14-11-15(9-10-26-14)23-28-19(13-33-23)22(32)27-18-12-30(29-20(18)21(25)31)17-7-5-16(6-8-17)24(2,3)4;1-23(2,3)15-4-6-16(7-5-15)30-12-17(19(29-30)20(24)25)27-21(31)18-13-32-22(28-18)14-8-10-26-11-9-14;1-17(2,3)14-12(9-22(4)21-14)19-15(23)13-10-24-16(20-13)11-5-7-18-8-6-11;1-12(2,3)10-8(5-16(4)15-10)14-11(17)9-6-18-7-13-9/h6-12,15-17H,4-5,13-14,28H2,1-3H3,(H,29,30)(H,31,35);4-12,21H,13H2,1-3H3,(H,31,32)(H,33,37);5,8,11,13-16,18,23H,3-4,6-7,9-10,12H2,1-2H3,(H,28,29)(H,30,35);5-13H,1-4H3,(H2,25,31)(H,27,32);4-13,20H,1-3H3,(H,27,31);5-10H,1-4H3,(H,19,23);5-7H,1-4H3,(H,14,17).
What are the key properties of N-[3-(aminomethyl)-1-(4-tert-butylphenyl)pyrazol-4-yl]-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-(3-tert-butyl-1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-(3-tert-butyl-1-methylpyrazol-4-yl)-2-pyridin-4-yl-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-carbamoylpyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-(difluoromethyl)pyrazol-4-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-(difluoromethyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide?
N-[3-(aminomethyl)-1-(4-tert-butylphenyl)pyrazol-4-yl]-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-(3-tert-butyl-1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-(3-tert-butyl-1-methylpyrazol-4-yl)-2-pyridin-4-yl-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-carbamoylpyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-(difluoromethyl)pyrazol-4-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-(difluoromethyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 2975.25 g/mol, XLogP of 30.39, 39 rotatable bonds, 12 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-1-(4-tert-butylphenyl)pyrazol-4-yl]-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-(3-tert-butyl-1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-(3-tert-butyl-1-methylpyrazol-4-yl)-2-pyridin-4-yl-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-carbamoylpyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-(difluoromethyl)pyrazol-4-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide;N-[1-(4-tert-butylphenyl)-3-(difluoromethyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 159240517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).