3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-2-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]-1,3-thiazole-4-carboxamide

C85H77N11O6S — CID 157293670

IUPAC3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-2-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]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(Cn2cc(NC(=O)c3[nH]ccc3C)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cscn3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3occc3C)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3oncc3C)c3ccccc32)cc1
InChIInChI=1S/C22H21N3O.C22H20N2O2.C21H19N3O2.C20H17N3OS/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;1-15-7-9-17(10-8-15)13-24-14-19(18-5-3-4-6-20(18)24)23-22(25)21-16(2)11-12-26-21;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)10-23-11-17(16-4-2-3-5-19(16)23)22-20(24)18-12-25-13-21-18/h3-12,14,23H,13H2,1-2H3,(H,24,26);3-12,14H,13H2,1-2H3,(H,23,25);3-11,13H,12H2,1-2H3,(H,23,25);2-9,11-13H,10H2,1H3,(H,22,24)
InChIKeyBBBZJAFFGWUNRP-UHFFFAOYSA-N
MW1380.69 g/mol
LogP19.29
Rot. Bonds16

About 3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-2-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]-1,3-thiazole-4-carboxamide

3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-2-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]-1,3-thiazole-4-carboxamide (PubChem CID 157293670) has the molecular formula C85H77N11O6S and a molecular weight of 1380.69 g/mol. Its IUPAC name is 3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-2-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]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-2-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]-1,3-thiazole-4-carboxamide
PubChem CID157293670
Molecular FormulaC85H77N11O6S
Molecular Weight1380.69 g/mol
Exact Mass1379.58
IUPAC Name3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-2-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]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(Cn2cc(NC(=O)c3[nH]ccc3C)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cscn3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3occc3C)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3oncc3C)c3ccccc32)cc1
InChIInChI=1S/C22H21N3O.C22H20N2O2.C21H19N3O2.C20H17N3OS/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;1-15-7-9-17(10-8-15)13-24-14-19(18-5-3-4-6-20(18)24)23-22(25)21-16(2)11-12-26-21;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)10-23-11-17(16-4-2-3-5-19(16)23)22-20(24)18-12-25-13-21-18/h3-12,14,23H,13H2,1-2H3,(H,24,26);3-12,14H,13H2,1-2H3,(H,23,25);3-11,13H,12H2,1-2H3,(H,23,25);2-9,11-13H,10H2,1H3,(H,22,24)
InChIKeyBBBZJAFFGWUNRP-UHFFFAOYSA-N
XLogP19.29
TPSA203.97 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001380.69
LogP ≤ 519.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Analyze 3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-2-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]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-4-carboxamide;3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrrole-2-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide
CID 157956787
3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-2-carboxamide;5-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2,5-oxadiazole-3-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]-1,3-oxazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]-1,3-thiazole-4-carboxamide
CID 161651891
2-[3-[(3-methylfuran-2-carbonyl)amino]-1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]-1,3-thiazole-4-carboxamide
CID 166823038
2-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridazine-3-carboxamide
CID 157139029
3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-2-carboxamide;5-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-oxazole-4-carboxamide;5-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2,5-oxadiazole-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide
CID 157471712
N-[1-[(4-fluorophenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide;N-[1-[(4-fluorophenyl)methyl]indol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[(4-fluorophenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-[(4-fluorophenyl)methyl]indol-3-yl]pyridazine-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide
CID 157742437
N-[1-[(4-cyanophenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indol-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide;N-[1-[(4-cyanophenyl)methyl]indol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[(4-cyanophenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridazine-3-carboxamide
CID 157836956
N-[3-[(5-ethylfuran-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[[2-(1H-indol-3-yl)acetyl]amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-methylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;bis(N-[3-[(6-methylpyrazine-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide);N-[3-[(6-methylpyrazine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyridine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(oxane-2-carbonylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(3-phenylfuran-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(4-phenylpyridine-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide
CID 158084713
3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-2-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-oxazole-5-carboxamide;5-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-oxazole-4-carboxamide;5-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2,5-oxadiazole-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide
CID 158339495
N-(1-benzylindol-3-yl)furan-3-carboxamide;N-[1-[(4-fluorophenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide;2-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(2-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridazine-3-carboxamide
CID 158531010
2-methyl-N-[1-[(6-methyl-3-pyridinyl)methyl]indol-3-yl]furan-3-carboxamide;3-methyl-N-[1-[(6-methyl-3-pyridinyl)methyl]indol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[(6-methyl-3-pyridinyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridazine-3-carboxamide;N-[1-[(6-methyl-3-pyridinyl)methyl]indol-3-yl]furan-3-carboxamide
CID 158604907
2-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide
CID 158758920

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-2-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]-1,3-thiazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-2-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]-1,3-thiazole-4-carboxamide (CID 157293670) is 3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-2-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]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-2-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]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-2-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]-1,3-thiazole-4-carboxamide is Cc1ccc(Cn2cc(NC(=O)c3[nH]ccc3C)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cscn3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3occc3C)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3oncc3C)c3ccccc32)cc1.
What is the InChIKey of 3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-2-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]-1,3-thiazole-4-carboxamide?
The InChIKey is BBBZJAFFGWUNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O.C22H20N2O2.C21H19N3O2.C20H17N3OS/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;1-15-7-9-17(10-8-15)13-24-14-19(18-5-3-4-6-20(18)24)23-22(25)21-16(2)11-12-26-21;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)10-23-11-17(16-4-2-3-5-19(16)23)22-20(24)18-12-25-13-21-18/h3-12,14,23H,13H2,1-2H3,(H,24,26);3-12,14H,13H2,1-2H3,(H,23,25);3-11,13H,12H2,1-2H3,(H,23,25);2-9,11-13H,10H2,1H3,(H,22,24).
What are the key properties of 3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-2-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]-1,3-thiazole-4-carboxamide?
3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-2-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]-1,3-thiazole-4-carboxamide has a molecular weight of 1380.69 g/mol, XLogP of 19.29, 16 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-2-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]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 157293670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).