5,5-dimethyl-3-[4-[1-(2-methyl-N-[(3R)-piperidin-3-yl]anilino)ethenyl]phenyl]-1,2-oxazol-4-one;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide);4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-pyridin-2-ylbenzamide;3-[4-[1-[(5-fluoro-3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;4-[(4S)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-[(4R)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide

C189H222FN31O22 — CID 158722255

IUPAC5,5-dimethyl-3-[4-[1-(2-methyl-N-[(3R)-piperidin-3-yl]anilino)ethenyl]phenyl]-1,2-oxazol-4-one;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide);4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-pyridin-2-ylbenzamide;3-[4-[1-[(5-fluoro-3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;4-[(4S)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-[(4R)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide
SMILESC=C(c1ccc(C2=NOC(C)(C)C2=O)cc1)N(c1ccccc1C)[C@@H]1CCCNC1.C=C(c1ccc(C2=NOC(C)(C)C2=O)cc1)N(c1ncc(F)cc1C)[C@@H]1CCCNC1.CC1(C)ON=C(c2ccc(C(=O)N(c3ccccn3)[C@@H]3CCCNC3)cc2)C1=O.COC1C(c2ccc(C(=O)N(c3ncccc3C)[C@@H]3CCCNC3)cc2)=NOC1(C)C.CO[C@@H]1C(c2ccc(C(=O)N(c3ncccc3C)[C@@H]3CCCNC3)cc2)=NOC1(C)C.CO[C@H]1C(c2ccc(C(=O)N(c3ncccc3C)[C@@H]3CCCNC3)cc2)=NOC1(C)C.Cc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)[C@@H]1CCCNC1.Cc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)[C@@H]1CCCNC1
InChIInChI=1S/C25H29N3O2.C24H27FN4O2.3C24H30N4O3.2C23H26N4O3.C22H24N4O3/c1-17-8-5-6-10-22(17)28(21-9-7-15-26-16-21)18(2)19-11-13-20(14-12-19)23-24(29)25(3,4)30-27-23;1-15-12-19(25)13-27-23(15)29(20-6-5-11-26-14-20)16(2)17-7-9-18(10-8-17)21-22(30)24(3,4)31-28-21;3*1-16-7-5-14-26-22(16)28(19-8-6-13-25-15-19)23(29)18-11-9-17(10-12-18)20-21(30-4)24(2,3)31-27-20;2*1-15-6-4-13-25-21(15)27(18-7-5-12-24-14-18)22(29)17-10-8-16(9-11-17)19-20(28)23(2,3)30-26-19;1-22(2)20(27)19(25-29-22)15-8-10-16(11-9-15)21(28)26(17-6-5-12-23-14-17)18-7-3-4-13-24-18/h5-6,8,10-14,21,26H,2,7,9,15-16H2,1,3-4H3;7-10,12-13,20,26H,2,5-6,11,14H2,1,3-4H3;3*5,7,9-12,14,19,21,25H,6,8,13,15H2,1-4H3;2*4,6,8-11,13,18,24H,5,7,12,14H2,1-3H3;3-4,7-11,13,17,23H,5-6,12,14H2,1-2H3/t21-;20-;19-,21?;19-,21+;19-,21-;2*18-;17-/m11111111/s1
InChIKeyIKBGEVUYGZZCHV-ZXTYYQKFSA-N
MW3299.05 g/mol
LogP26.40
Rot. Bonds37

About 5,5-dimethyl-3-[4-[1-(2-methyl-N-[(3R)-piperidin-3-yl]anilino)ethenyl]phenyl]-1,2-oxazol-4-one;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide);4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-pyridin-2-ylbenzamide;3-[4-[1-[(5-fluoro-3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;4-[(4S)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-[(4R)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide

5,5-dimethyl-3-[4-[1-(2-methyl-N-[(3R)-piperidin-3-yl]anilino)ethenyl]phenyl]-1,2-oxazol-4-one;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide);4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-pyridin-2-ylbenzamide;3-[4-[1-[(5-fluoro-3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;4-[(4S)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-[(4R)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide (PubChem CID 158722255) has the molecular formula C189H222FN31O22 and a molecular weight of 3299.05 g/mol. Its IUPAC name is 5,5-dimethyl-3-[4-[1-(2-methyl-N-[(3R)-piperidin-3-yl]anilino)ethenyl]phenyl]-1,2-oxazol-4-one;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide);4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-pyridin-2-ylbenzamide;3-[4-[1-[(5-fluoro-3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;4-[(4S)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-[(4R)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide.

Molecular Properties

Compound Name5,5-dimethyl-3-[4-[1-(2-methyl-N-[(3R)-piperidin-3-yl]anilino)ethenyl]phenyl]-1,2-oxazol-4-one;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide);4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-pyridin-2-ylbenzamide;3-[4-[1-[(5-fluoro-3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;4-[(4S)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-[(4R)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide
PubChem CID158722255
Molecular FormulaC189H222FN31O22
Molecular Weight3299.05 g/mol
Exact Mass3296.72
IUPAC Name5,5-dimethyl-3-[4-[1-(2-methyl-N-[(3R)-piperidin-3-yl]anilino)ethenyl]phenyl]-1,2-oxazol-4-one;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide);4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-pyridin-2-ylbenzamide;3-[4-[1-[(5-fluoro-3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;4-[(4S)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-[(4R)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide
SMILESC=C(c1ccc(C2=NOC(C)(C)C2=O)cc1)N(c1ccccc1C)[C@@H]1CCCNC1.C=C(c1ccc(C2=NOC(C)(C)C2=O)cc1)N(c1ncc(F)cc1C)[C@@H]1CCCNC1.CC1(C)ON=C(c2ccc(C(=O)N(c3ccccn3)[C@@H]3CCCNC3)cc2)C1=O.COC1C(c2ccc(C(=O)N(c3ncccc3C)[C@@H]3CCCNC3)cc2)=NOC1(C)C.CO[C@@H]1C(c2ccc(C(=O)N(c3ncccc3C)[C@@H]3CCCNC3)cc2)=NOC1(C)C.CO[C@H]1C(c2ccc(C(=O)N(c3ncccc3C)[C@@H]3CCCNC3)cc2)=NOC1(C)C.Cc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)[C@@H]1CCCNC1.Cc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)[C@@H]1CCCNC1
InChIInChI=1S/C25H29N3O2.C24H27FN4O2.3C24H30N4O3.2C23H26N4O3.C22H24N4O3/c1-17-8-5-6-10-22(17)28(21-9-7-15-26-16-21)18(2)19-11-13-20(14-12-19)23-24(29)25(3,4)30-27-23;1-15-12-19(25)13-27-23(15)29(20-6-5-11-26-14-20)16(2)17-7-9-18(10-8-17)21-22(30)24(3,4)31-28-21;3*1-16-7-5-14-26-22(16)28(19-8-6-13-25-15-19)23(29)18-11-9-17(10-12-18)20-21(30-4)24(2,3)31-27-20;2*1-15-6-4-13-25-21(15)27(18-7-5-12-24-14-18)22(29)17-10-8-16(9-11-17)19-20(28)23(2,3)30-26-19;1-22(2)20(27)19(25-29-22)15-8-10-16(11-9-15)21(28)26(17-6-5-12-23-14-17)18-7-3-4-13-24-18/h5-6,8,10-14,21,26H,2,7,9,15-16H2,1,3-4H3;7-10,12-13,20,26H,2,5-6,11,14H2,1,3-4H3;3*5,7,9-12,14,19,21,25H,6,8,13,15H2,1-4H3;2*4,6,8-11,13,18,24H,5,7,12,14H2,1-3H3;3-4,7-11,13,17,23H,5-6,12,14H2,1-2H3/t21-;20-;19-,21?;19-,21+;19-,21-;2*18-;17-/m11111111/s1
InChIKeyIKBGEVUYGZZCHV-ZXTYYQKFSA-N
XLogP26.40
TPSA600.57 Ų
H-Bond Donors8
H-Bond Acceptors47
Rotatable Bonds37
Heavy Atoms243
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003299.05
LogP ≤ 526.40
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1047

Analyze 5,5-dimethyl-3-[4-[1-(2-methyl-N-[(3R)-piperidin-3-yl]anilino)ethenyl]phenyl]-1,2-oxazol-4-one;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide);4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-pyridin-2-ylbenzamide;3-[4-[1-[(5-fluoro-3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;4-[(4S)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-[(4R)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide with MolForge

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Launch Full Analysis

Related Compounds

4-[5-[[6-[[4-[5-[[6-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluorobenzoyl]-piperidin-3-ylamino]-5-methyl-3-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]benzoyl]-piperidin-3-ylamino]-5-methyl-3-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]-2-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide
CID 146279892
2-fluoro-4-[5-[[6-[[4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]benzoyl]-[(3R)-piperidin-3-yl]amino]-5-methyl-2-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]-N-[3-methyl-5-[[5-methyl-3-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-4-oxo-1,2-oxazol-5-yl]methyl]-2-pyridinyl]-N-[(3R)-piperidin-3-yl]benzamide
CID 146279893
4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluoro-N-[5-[[4-hydroxy-5-methyl-3-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-4H-1,2-oxazol-5-yl]methyl]-3-methyl-2-pyridinyl]-N-[(3R)-piperidin-3-yl]benzamide
CID 146279923
N-[6-[[3-[4-[1,3-dihydrofuro[3,4-c]pyridin-4-yl(piperidin-3-yl)carbamoyl]phenyl]-5-methyl-4-oxo-1,2-oxazol-5-yl]methyl]-3-methyl-2-pyridinyl]-4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-piperidin-3-ylbenzamide
CID 146279894
4-[(4Z)-4-methoxyimino-5,5-dimethyl-1,2-oxazol-3-yl]-N-[3-methyl-5-[[5-methyl-4-oxo-3-[4-[(3-phenyl-2-pyridinyl)-piperidin-3-ylcarbamoyl]phenyl]-1,2-oxazol-5-yl]methyl]-2-pyridinyl]-N-piperidin-3-ylbenzamide
CID 146279911
N-[3-chloro-5-[[3-[4-[[3-chloro-5-[3-[4-[(3-chloro-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-5-methyl-4-oxo-1,2-oxazol-5-yl]-2-pyridinyl]-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-4-methoxy-5-methyl-4H-1,2-oxazol-5-yl]methyl]-2-pyridinyl]-4-[(4R)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-[(3R)-piperidin-3-yl]benzamide
CID 146279913
N-(3-chloro-2-pyridinyl)-4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide;5,5-dimethyl-3-[4-[1-(2-methyl-N-piperidin-3-ylanilino)ethenyl]phenyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(5-fluoro-3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide);5,5-dimethyl-3-[4-[1-[piperidin-3-yl(pyridin-2-yl)amino]ethenyl]phenyl]-1,2-oxazol-4-one;methane
CID 157312922
tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluorobenzoyl]-(3-methyl-2-pyridinyl)amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluoro-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten
CID 157525545
4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(5-fluoro-3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(2-methylphenyl)-N-piperidin-3-ylbenzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide);4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-piperidin-3-yl-N-pyridin-2-ylbenzamide;4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide
CID 157871141
N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-piperidin-3-ylbenzamide;N-(6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide;5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluoro-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;N-[1-[4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]phenyl]ethenyl]-3-methyl-N-piperidin-3-ylpyridin-2-amine
CID 158001657
tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-(3-fluoro-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-fluoro-2-pyridinyl)amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-fluoro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten
CID 158864758
N-(3-cyclopropyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide;5,5-dimethyl-3-[6-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]-3-pyridinyl]-1,2-oxazol-4-one;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-ethyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-phenyl-2-pyridinyl)-N-piperidin-3-ylbenzamide);4,5,5-trimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-1,2-oxazol-4-ol
CID 158970477

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[4-[1-(2-methyl-N-[(3R)-piperidin-3-yl]anilino)ethenyl]phenyl]-1,2-oxazol-4-one;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide);4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-pyridin-2-ylbenzamide;3-[4-[1-[(5-fluoro-3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;4-[(4S)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-[(4R)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide?
The IUPAC name of 5,5-dimethyl-3-[4-[1-(2-methyl-N-[(3R)-piperidin-3-yl]anilino)ethenyl]phenyl]-1,2-oxazol-4-one;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide);4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-pyridin-2-ylbenzamide;3-[4-[1-[(5-fluoro-3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;4-[(4S)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-[(4R)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide (CID 158722255) is 5,5-dimethyl-3-[4-[1-(2-methyl-N-[(3R)-piperidin-3-yl]anilino)ethenyl]phenyl]-1,2-oxazol-4-one;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide);4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-pyridin-2-ylbenzamide;3-[4-[1-[(5-fluoro-3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;4-[(4S)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-[(4R)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide.
What is the SMILES notation for 5,5-dimethyl-3-[4-[1-(2-methyl-N-[(3R)-piperidin-3-yl]anilino)ethenyl]phenyl]-1,2-oxazol-4-one;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide);4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-pyridin-2-ylbenzamide;3-[4-[1-[(5-fluoro-3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;4-[(4S)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-[(4R)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide?
The canonical SMILES for 5,5-dimethyl-3-[4-[1-(2-methyl-N-[(3R)-piperidin-3-yl]anilino)ethenyl]phenyl]-1,2-oxazol-4-one;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide);4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-pyridin-2-ylbenzamide;3-[4-[1-[(5-fluoro-3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;4-[(4S)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-[(4R)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide is C=C(c1ccc(C2=NOC(C)(C)C2=O)cc1)N(c1ccccc1C)[C@@H]1CCCNC1.C=C(c1ccc(C2=NOC(C)(C)C2=O)cc1)N(c1ncc(F)cc1C)[C@@H]1CCCNC1.CC1(C)ON=C(c2ccc(C(=O)N(c3ccccn3)[C@@H]3CCCNC3)cc2)C1=O.COC1C(c2ccc(C(=O)N(c3ncccc3C)[C@@H]3CCCNC3)cc2)=NOC1(C)C.CO[C@@H]1C(c2ccc(C(=O)N(c3ncccc3C)[C@@H]3CCCNC3)cc2)=NOC1(C)C.CO[C@H]1C(c2ccc(C(=O)N(c3ncccc3C)[C@@H]3CCCNC3)cc2)=NOC1(C)C.Cc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)[C@@H]1CCCNC1.Cc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)[C@@H]1CCCNC1.
What is the InChIKey of 5,5-dimethyl-3-[4-[1-(2-methyl-N-[(3R)-piperidin-3-yl]anilino)ethenyl]phenyl]-1,2-oxazol-4-one;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide);4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-pyridin-2-ylbenzamide;3-[4-[1-[(5-fluoro-3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;4-[(4S)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-[(4R)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide?
The InChIKey is IKBGEVUYGZZCHV-ZXTYYQKFSA-N. The full InChI is InChI=1S/C25H29N3O2.C24H27FN4O2.3C24H30N4O3.2C23H26N4O3.C22H24N4O3/c1-17-8-5-6-10-22(17)28(21-9-7-15-26-16-21)18(2)19-11-13-20(14-12-19)23-24(29)25(3,4)30-27-23;1-15-12-19(25)13-27-23(15)29(20-6-5-11-26-14-20)16(2)17-7-9-18(10-8-17)21-22(30)24(3,4)31-28-21;3*1-16-7-5-14-26-22(16)28(19-8-6-13-25-15-19)23(29)18-11-9-17(10-12-18)20-21(30-4)24(2,3)31-27-20;2*1-15-6-4-13-25-21(15)27(18-7-5-12-24-14-18)22(29)17-10-8-16(9-11-17)19-20(28)23(2,3)30-26-19;1-22(2)20(27)19(25-29-22)15-8-10-16(11-9-15)21(28)26(17-6-5-12-23-14-17)18-7-3-4-13-24-18/h5-6,8,10-14,21,26H,2,7,9,15-16H2,1,3-4H3;7-10,12-13,20,26H,2,5-6,11,14H2,1,3-4H3;3*5,7,9-12,14,19,21,25H,6,8,13,15H2,1-4H3;2*4,6,8-11,13,18,24H,5,7,12,14H2,1-3H3;3-4,7-11,13,17,23H,5-6,12,14H2,1-2H3/t21-;20-;19-,21?;19-,21+;19-,21-;2*18-;17-/m11111111/s1.
What are the key properties of 5,5-dimethyl-3-[4-[1-(2-methyl-N-[(3R)-piperidin-3-yl]anilino)ethenyl]phenyl]-1,2-oxazol-4-one;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide);4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-pyridin-2-ylbenzamide;3-[4-[1-[(5-fluoro-3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;4-[(4S)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-[(4R)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide?
5,5-dimethyl-3-[4-[1-(2-methyl-N-[(3R)-piperidin-3-yl]anilino)ethenyl]phenyl]-1,2-oxazol-4-one;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide);4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-pyridin-2-ylbenzamide;3-[4-[1-[(5-fluoro-3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;4-[(4S)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-[(4R)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide has a molecular weight of 3299.05 g/mol, XLogP of 26.40, 37 rotatable bonds, 8 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[4-[1-(2-methyl-N-[(3R)-piperidin-3-yl]anilino)ethenyl]phenyl]-1,2-oxazol-4-one;bis(4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide);4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]-N-pyridin-2-ylbenzamide;3-[4-[1-[(5-fluoro-3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;4-[(4S)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-[(4R)-4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl]-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide is sourced from PubChem (CID 158722255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).