N-(2-chlorophenyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;N-(4-chloro-3-pyridinyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;[(3S)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-methoxypiperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-methoxypiperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-(methylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-(methylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3R)-3-(prop-1-en-2-ylamino)piperidin-1-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]methanone

C164H169Cl2F30N27O22S10 — CID 157198002

IUPACN-(2-chlorophenyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;N-(4-chloro-3-pyridinyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;[(3S)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-methoxypiperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-methoxypiperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-(methylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-(methylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3R)-3-(prop-1-en-2-ylamino)piperidin-1-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]methanone
SMILESC=C(C)N[C@@H]1CCCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)C1.CN[C@@H]1CCCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)C1.CN[C@H]1CCCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)C1.CO[C@@H]1CCCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)C1.CO[C@H]1CCCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)C1.Cc1c(-c2ccc(C(=O)N3CCC[C@@H](N(C)C)C3)s2)noc1C(F)(F)F.Cc1c(-c2ccc(C(=O)N3CCC[C@H](N(C)C)C3)s2)noc1C(F)(F)F.Cc1c(-c2ccc(C(=O)N3C[C@@H](C)N(C)[C@@H](C)C3)s2)noc1C(F)(F)F.Cc1c(-c2ccc(C(=O)Nc3ccccc3Cl)s2)noc1C(F)(F)F.Cc1c(-c2ccc(C(=O)Nc3cnccc3Cl)s2)noc1C(F)(F)F
InChIInChI=1S/C18H20F3N3O2S.3C17H20F3N3O2S.C16H10ClF3N2O2S.2C16H18F3N3O2S.2C16H17F3N2O3S.C15H9ClF3N3O2S/c1-10(2)22-12-5-4-8-24(9-12)17(25)14-7-6-13(27-14)15-11(3)16(26-23-15)18(19,20)21;1-9-7-23(8-10(2)22(9)4)16(24)13-6-5-12(26-13)14-11(3)15(25-21-14)17(18,19)20;2*1-10-14(21-25-15(10)17(18,19)20)12-6-7-13(26-12)16(24)23-8-4-5-11(9-23)22(2)3;1-8-13(22-24-14(8)16(18,19)20)11-6-7-12(25-11)15(23)21-10-5-3-2-4-9(10)17;2*1-9-13(21-24-14(9)16(17,18)19)11-5-6-12(25-11)15(23)22-7-3-4-10(8-22)20-2;2*1-9-13(20-24-14(9)16(17,18)19)11-5-6-12(25-11)15(22)21-7-3-4-10(8-21)23-2;1-7-12(22-24-13(7)15(17,18)19)10-2-3-11(25-10)14(23)21-9-6-20-5-4-8(9)16/h6-7,12,22H,1,4-5,8-9H2,2-3H3;5-6,9-10H,7-8H2,1-4H3;2*6-7,11H,4-5,8-9H2,1-3H3;2-7H,1H3,(H,21,23);2*5-6,10,20H,3-4,7-8H2,1-2H3;2*5-6,10H,3-4,7-8H2,1-2H3;2-6H,1H3,(H,21,23)/t12-;9-,10+;2*11-;;4*10-;/m1.10.1010./s1
InChIKeyAQLXFBVDFPQLPJ-LVNZTKAJSA-N
MW3831.84 g/mol
LogP41.88
Rot. Bonds30

About N-(2-chlorophenyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;N-(4-chloro-3-pyridinyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;[(3S)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-methoxypiperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-methoxypiperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-(methylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-(methylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3R)-3-(prop-1-en-2-ylamino)piperidin-1-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]methanone

N-(2-chlorophenyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;N-(4-chloro-3-pyridinyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;[(3S)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-methoxypiperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-methoxypiperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-(methylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-(methylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3R)-3-(prop-1-en-2-ylamino)piperidin-1-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]methanone (PubChem CID 157198002) has the molecular formula C164H169Cl2F30N27O22S10 and a molecular weight of 3831.84 g/mol. Its IUPAC name is N-(2-chlorophenyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;N-(4-chloro-3-pyridinyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;[(3S)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-methoxypiperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-methoxypiperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-(methylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-(methylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3R)-3-(prop-1-en-2-ylamino)piperidin-1-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]methanone.

Molecular Properties

Compound NameN-(2-chlorophenyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;N-(4-chloro-3-pyridinyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;[(3S)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-methoxypiperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-methoxypiperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-(methylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-(methylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3R)-3-(prop-1-en-2-ylamino)piperidin-1-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]methanone
PubChem CID157198002
Molecular FormulaC164H169Cl2F30N27O22S10
Molecular Weight3831.84 g/mol
Exact Mass3827.90
IUPAC NameN-(2-chlorophenyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;N-(4-chloro-3-pyridinyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;[(3S)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-methoxypiperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-methoxypiperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-(methylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-(methylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3R)-3-(prop-1-en-2-ylamino)piperidin-1-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]methanone
SMILESC=C(C)N[C@@H]1CCCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)C1.CN[C@@H]1CCCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)C1.CN[C@H]1CCCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)C1.CO[C@@H]1CCCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)C1.CO[C@H]1CCCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)C1.Cc1c(-c2ccc(C(=O)N3CCC[C@@H](N(C)C)C3)s2)noc1C(F)(F)F.Cc1c(-c2ccc(C(=O)N3CCC[C@H](N(C)C)C3)s2)noc1C(F)(F)F.Cc1c(-c2ccc(C(=O)N3C[C@@H](C)N(C)[C@@H](C)C3)s2)noc1C(F)(F)F.Cc1c(-c2ccc(C(=O)Nc3ccccc3Cl)s2)noc1C(F)(F)F.Cc1c(-c2ccc(C(=O)Nc3cnccc3Cl)s2)noc1C(F)(F)F
InChIInChI=1S/C18H20F3N3O2S.3C17H20F3N3O2S.C16H10ClF3N2O2S.2C16H18F3N3O2S.2C16H17F3N2O3S.C15H9ClF3N3O2S/c1-10(2)22-12-5-4-8-24(9-12)17(25)14-7-6-13(27-14)15-11(3)16(26-23-15)18(19,20)21;1-9-7-23(8-10(2)22(9)4)16(24)13-6-5-12(26-13)14-11(3)15(25-21-14)17(18,19)20;2*1-10-14(21-25-15(10)17(18,19)20)12-6-7-13(26-12)16(24)23-8-4-5-11(9-23)22(2)3;1-8-13(22-24-14(8)16(18,19)20)11-6-7-12(25-11)15(23)21-10-5-3-2-4-9(10)17;2*1-9-13(21-24-14(9)16(17,18)19)11-5-6-12(25-11)15(23)22-7-3-4-10(8-22)20-2;2*1-9-13(20-24-14(9)16(17,18)19)11-5-6-12(25-11)15(22)21-7-3-4-10(8-21)23-2;1-7-12(22-24-13(7)15(17,18)19)10-2-3-11(25-10)14(23)21-9-6-20-5-4-8(9)16/h6-7,12,22H,1,4-5,8-9H2,2-3H3;5-6,9-10H,7-8H2,1-4H3;2*6-7,11H,4-5,8-9H2,1-3H3;2-7H,1H3,(H,21,23);2*5-6,10,20H,3-4,7-8H2,1-2H3;2*5-6,10H,3-4,7-8H2,1-2H3;2-6H,1H3,(H,21,23)/t12-;9-,10+;2*11-;;4*10-;/m1.10.1010./s1
InChIKeyAQLXFBVDFPQLPJ-LVNZTKAJSA-N
XLogP41.88
TPSA558.14 Ų
H-Bond Donors5
H-Bond Acceptors49
Rotatable Bonds30
Heavy Atoms255
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003831.84
LogP ≤ 541.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1049

Analyze N-(2-chlorophenyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;N-(4-chloro-3-pyridinyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;[(3S)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-methoxypiperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-methoxypiperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-(methylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-(methylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3R)-3-(prop-1-en-2-ylamino)piperidin-1-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;N-(4-chloro-3-pyridinyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;[(3S)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-methoxypiperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-methoxypiperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-(methylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-(methylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3R)-3-(prop-1-en-2-ylamino)piperidin-1-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]methanone?
The IUPAC name of N-(2-chlorophenyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;N-(4-chloro-3-pyridinyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;[(3S)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-methoxypiperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-methoxypiperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-(methylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-(methylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3R)-3-(prop-1-en-2-ylamino)piperidin-1-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]methanone (CID 157198002) is N-(2-chlorophenyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;N-(4-chloro-3-pyridinyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;[(3S)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-methoxypiperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-methoxypiperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-(methylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-(methylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3R)-3-(prop-1-en-2-ylamino)piperidin-1-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]methanone.
What is the SMILES notation for N-(2-chlorophenyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;N-(4-chloro-3-pyridinyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;[(3S)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-methoxypiperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-methoxypiperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-(methylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-(methylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3R)-3-(prop-1-en-2-ylamino)piperidin-1-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]methanone?
The canonical SMILES for N-(2-chlorophenyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;N-(4-chloro-3-pyridinyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;[(3S)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-methoxypiperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-methoxypiperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-(methylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-(methylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3R)-3-(prop-1-en-2-ylamino)piperidin-1-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]methanone is C=C(C)N[C@@H]1CCCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)C1.CN[C@@H]1CCCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)C1.CN[C@H]1CCCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)C1.CO[C@@H]1CCCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)C1.CO[C@H]1CCCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)C1.Cc1c(-c2ccc(C(=O)N3CCC[C@@H](N(C)C)C3)s2)noc1C(F)(F)F.Cc1c(-c2ccc(C(=O)N3CCC[C@H](N(C)C)C3)s2)noc1C(F)(F)F.Cc1c(-c2ccc(C(=O)N3C[C@@H](C)N(C)[C@@H](C)C3)s2)noc1C(F)(F)F.Cc1c(-c2ccc(C(=O)Nc3ccccc3Cl)s2)noc1C(F)(F)F.Cc1c(-c2ccc(C(=O)Nc3cnccc3Cl)s2)noc1C(F)(F)F.
What is the InChIKey of N-(2-chlorophenyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;N-(4-chloro-3-pyridinyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;[(3S)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-methoxypiperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-methoxypiperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-(methylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-(methylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3R)-3-(prop-1-en-2-ylamino)piperidin-1-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]methanone?
The InChIKey is AQLXFBVDFPQLPJ-LVNZTKAJSA-N. The full InChI is InChI=1S/C18H20F3N3O2S.3C17H20F3N3O2S.C16H10ClF3N2O2S.2C16H18F3N3O2S.2C16H17F3N2O3S.C15H9ClF3N3O2S/c1-10(2)22-12-5-4-8-24(9-12)17(25)14-7-6-13(27-14)15-11(3)16(26-23-15)18(19,20)21;1-9-7-23(8-10(2)22(9)4)16(24)13-6-5-12(26-13)14-11(3)15(25-21-14)17(18,19)20;2*1-10-14(21-25-15(10)17(18,19)20)12-6-7-13(26-12)16(24)23-8-4-5-11(9-23)22(2)3;1-8-13(22-24-14(8)16(18,19)20)11-6-7-12(25-11)15(23)21-10-5-3-2-4-9(10)17;2*1-9-13(21-24-14(9)16(17,18)19)11-5-6-12(25-11)15(23)22-7-3-4-10(8-22)20-2;2*1-9-13(20-24-14(9)16(17,18)19)11-5-6-12(25-11)15(22)21-7-3-4-10(8-21)23-2;1-7-12(22-24-13(7)15(17,18)19)10-2-3-11(25-10)14(23)21-9-6-20-5-4-8(9)16/h6-7,12,22H,1,4-5,8-9H2,2-3H3;5-6,9-10H,7-8H2,1-4H3;2*6-7,11H,4-5,8-9H2,1-3H3;2-7H,1H3,(H,21,23);2*5-6,10,20H,3-4,7-8H2,1-2H3;2*5-6,10H,3-4,7-8H2,1-2H3;2-6H,1H3,(H,21,23)/t12-;9-,10+;2*11-;;4*10-;/m1.10.1010./s1.
What are the key properties of N-(2-chlorophenyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;N-(4-chloro-3-pyridinyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;[(3S)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-methoxypiperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-methoxypiperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-(methylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-(methylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3R)-3-(prop-1-en-2-ylamino)piperidin-1-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]methanone?
N-(2-chlorophenyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;N-(4-chloro-3-pyridinyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;[(3S)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-methoxypiperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-methoxypiperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-(methylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-(methylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3R)-3-(prop-1-en-2-ylamino)piperidin-1-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]methanone has a molecular weight of 3831.84 g/mol, XLogP of 41.88, 30 rotatable bonds, 5 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;N-(4-chloro-3-pyridinyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;[(3S)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-methoxypiperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-methoxypiperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-(methylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-(methylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3R)-3-(prop-1-en-2-ylamino)piperidin-1-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]methanone is sourced from PubChem (CID 157198002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).