4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrrole-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide

C83H75N13O6 — CID 157423883

IUPAC4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrrole-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide
SMILESCc1ccc(Cn2cc(NC(=O)c3[nH]ccc3C)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3ccno3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cnc[nH]3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3oncc3C)c3ccccc32)cc1
InChIInChI=1S/C22H21N3O.C21H19N3O2.C20H18N4O.C20H17N3O2/c1-15-7-9-17(10-8-15)13-25-14-19(18-5-3-4-6-20(18)25)24-22(26)21-16(2)11-12-23-21;1-14-7-9-16(10-8-14)12-24-13-18(17-5-3-4-6-19(17)24)23-21(25)20-15(2)11-22-26-20;1-14-6-8-15(9-7-14)11-24-12-18(16-4-2-3-5-19(16)24)23-20(25)17-10-21-13-22-17;1-14-6-8-15(9-7-14)12-23-13-17(16-4-2-3-5-18(16)23)22-20(24)19-10-11-21-25-19/h3-12,14,23H,13H2,1-2H3,(H,24,26);3-11,13H,12H2,1-2H3,(H,23,25);2-10,12-13H,11H2,1H3,(H,21,22)(H,23,25);2-11,13H,12H2,1H3,(H,22,24)
InChIKeyBPSRQEINVDXPCM-UHFFFAOYSA-N
MW1350.60 g/mol
LogP17.65
Rot. Bonds16

About 4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrrole-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide

4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrrole-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide (PubChem CID 157423883) has the molecular formula C83H75N13O6 and a molecular weight of 1350.60 g/mol. Its IUPAC name is 4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrrole-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrrole-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide
PubChem CID157423883
Molecular FormulaC83H75N13O6
Molecular Weight1350.60 g/mol
Exact Mass1349.60
IUPAC Name4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrrole-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide
SMILESCc1ccc(Cn2cc(NC(=O)c3[nH]ccc3C)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3ccno3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cnc[nH]3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3oncc3C)c3ccccc32)cc1
InChIInChI=1S/C22H21N3O.C21H19N3O2.C20H18N4O.C20H17N3O2/c1-15-7-9-17(10-8-15)13-25-14-19(18-5-3-4-6-20(18)25)24-22(26)21-16(2)11-12-23-21;1-14-7-9-16(10-8-14)12-24-13-18(17-5-3-4-6-19(17)24)23-21(25)20-15(2)11-22-26-20;1-14-6-8-15(9-7-14)11-24-12-18(16-4-2-3-5-19(16)24)23-20(25)17-10-21-13-22-17;1-14-6-8-15(9-7-14)12-23-13-17(16-4-2-3-5-18(16)23)22-20(24)19-10-11-21-25-19/h3-12,14,23H,13H2,1-2H3,(H,24,26);3-11,13H,12H2,1-2H3,(H,23,25);2-10,12-13H,11H2,1H3,(H,21,22)(H,23,25);2-11,13H,12H2,1H3,(H,22,24)
InChIKeyBPSRQEINVDXPCM-UHFFFAOYSA-N
XLogP17.65
TPSA232.65 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001350.60
LogP ≤ 517.65
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Analyze 4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrrole-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide with MolForge

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Related Compounds

3-methyl-N-[1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-imidazole-5-carboxamide
CID 161386281
2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrrole-2-carboxamide;bis(3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide);N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;1-[(4-methylphenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]indol-3-amine
CID 163913600
(2R)-2-(dimethylamino)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-(1H-indole-3-carbonyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 67145892
S-methyl 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethanethioate;S-methyl 2,2-diphenylethanethioate;S-methyl 4-(4-fluorophenyl)benzenecarbothioate;S-methyl 2-(1H-indol-3-yl)ethanethioate;S-methyl 4-(4-methylphenyl)benzenecarbothioate;S-methyl 1,2-oxazole-5-carbothioate
CID 157373436
tetrapotassium;tetrakis(5-tert-butyl-3H-1,2-oxazol-3-ide);N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-1-methylindole-3-carboxamide;1-methyl-N-phenylindole-3-carboxamide;5-methyl-N-phenyl-1H-indole-2-carboxamide;N-phenyl-1H-indole-2-carboxamide;N-phenyl-1H-indole-3-carboxamide
CID 157629637
(2R)-2-[2-(benzimidazol-1-yl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[2-(benzimidazol-1-yl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyrrol-1-ylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyrrol-1-ylethylamino)ethanone;methane
CID 158380886
1-ethyl-4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]butan-1-one;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-hydroxyethanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 158686142
N-[5-(anilinomethyl)-1-(3-methoxypropyl)benzimidazol-2-yl]-1,2-oxazole-5-carboxamide;4-cyano-N-[5-[[cyclohexyl(methyl)amino]methyl]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]benzamide;4-cyano-N-[5-[[cyclopentylmethyl(methyl)amino]methyl]-1-(3-methoxypropyl)benzimidazol-2-yl]benzamide;N-[5-[(cyclohexylamino)methyl]-1-(3-methoxypropyl)benzimidazol-2-yl]-1,2-oxazole-5-carboxamide;N-[5-[[cyclohexyl(methyl)amino]methyl]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]-1,2-oxazole-5-carboxamide;N-[5-[[cyclohexyl(methyl)amino]methyl]-1-(3-methoxypropyl)benzimidazol-2-yl]-1,2-oxazole-5-carboxamide
CID 158848842
(2R)-2-[2-(benzimidazol-1-yl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[2-(benzimidazol-1-yl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;bis((2S)-1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone);(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyrrol-1-ylethylamino)ethanone;(2S)-1-(1H-indol-3-yl)-2-phenyl-2-(2-pyrrol-1-ylethylamino)ethanone
CID 159043389
2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrrole-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide
CID 159438464
2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrrole-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide
CID 159752831
(2R)-2-[2-(1H-imidazol-2-yl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone;bis((2R)-1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone);tris((2S)-1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone)
CID 160434611

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrrole-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrrole-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide (CID 157423883) is 4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrrole-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrrole-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrrole-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide is Cc1ccc(Cn2cc(NC(=O)c3[nH]ccc3C)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3ccno3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cnc[nH]3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3oncc3C)c3ccccc32)cc1.
What is the InChIKey of 4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrrole-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is BPSRQEINVDXPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O.C21H19N3O2.C20H18N4O.C20H17N3O2/c1-15-7-9-17(10-8-15)13-25-14-19(18-5-3-4-6-20(18)25)24-22(26)21-16(2)11-12-23-21;1-14-7-9-16(10-8-14)12-24-13-18(17-5-3-4-6-19(17)24)23-21(25)20-15(2)11-22-26-20;1-14-6-8-15(9-7-14)11-24-12-18(16-4-2-3-5-19(16)24)23-20(25)17-10-21-13-22-17;1-14-6-8-15(9-7-14)12-23-13-17(16-4-2-3-5-18(16)23)22-20(24)19-10-11-21-25-19/h3-12,14,23H,13H2,1-2H3,(H,24,26);3-11,13H,12H2,1-2H3,(H,23,25);2-10,12-13H,11H2,1H3,(H,21,22)(H,23,25);2-11,13H,12H2,1H3,(H,22,24).
What are the key properties of 4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrrole-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide?
4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrrole-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 1350.60 g/mol, XLogP of 17.65, 16 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrrole-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 157423883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).