N-(furan-3-ylmethyl)-5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazole-2-carboxamide

C21H18N6O3 — CID 135887111

IUPACN-(furan-3-ylmethyl)-5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazole-2-carboxamide
SMILESCc1noc(-c2cc3cc(-c4nc(C(=O)NCc5ccoc5)[nH]c4C)ccc3[nH]2)n1
InChIInChI=1S/C21H18N6O3/c1-11-18(26-19(23-11)20(28)22-9-13-5-6-29-10-13)14-3-4-16-15(7-14)8-17(25-16)21-24-12(2)27-30-21/h3-8,10,25H,9H2,1-2H3,(H,22,28)(H,23,26)
InChIKeyAVFMXGXIWICDFU-UHFFFAOYSA-N
MW402.41 g/mol
LogP3.75
Rot. Bonds5

About N-(furan-3-ylmethyl)-5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazole-2-carboxamide

N-(furan-3-ylmethyl)-5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazole-2-carboxamide (PubChem CID 135887111) has the molecular formula C21H18N6O3 and a molecular weight of 402.41 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazole-2-carboxamide
PubChem CID135887111
Molecular FormulaC21H18N6O3
Molecular Weight402.41 g/mol
Exact Mass402.14
IUPAC NameN-(furan-3-ylmethyl)-5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazole-2-carboxamide
SMILESCc1noc(-c2cc3cc(-c4nc(C(=O)NCc5ccoc5)[nH]c4C)ccc3[nH]2)n1
InChIInChI=1S/C21H18N6O3/c1-11-18(26-19(23-11)20(28)22-9-13-5-6-29-10-13)14-3-4-16-15(7-14)8-17(25-16)21-24-12(2)27-30-21/h3-8,10,25H,9H2,1-2H3,(H,22,28)(H,23,26)
InChIKeyAVFMXGXIWICDFU-UHFFFAOYSA-N
XLogP3.75
TPSA125.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

US8785489, N-(isoxazol-5-ylmethyl)-5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazole-2-carboxamide
CID 135887132
US8785489, 5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(6-oxo-1,6-dihydropyridin-3-yl)methyl]-1H-imidazole-2-carboxamide
CID 135887184
US8785489, 5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-imidazole-2-carboxamide
CID 136341029
US8785489, 5-methyl-N-[(5-methylisoxazol-3-yl)methyl]-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazole-2-carboxamide
CID 136341050
5-[[(2R)-2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]propanoyl]amino]-1H-indole-2-carboxylic acid
CID 5743093
2-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-indol-3-yl]ethanamine
CID 136046098
US8785489, N-cyclopropyl-5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazole-2-carboxamide
CID 135887082
US8785489, 2-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[5-methyl-2-(pyrrolidin-1-ylcarbonyl)-1H-imidazol-4-yl]-1H-indole
CID 135887083
US8785489, N-(cyclopropylmethyl)-5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazole-2-carboxamide
CID 135887093
US8785489, 2-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[5-methyl-2-(piperidin-1-ylcarbonyl)-1H-imidazol-4-yl]-1H-indole
CID 135887094
US8785489, 5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(tetrahydrofuran-2-ylmethyl)-1H-imidazole-2-carboxamide
CID 135887095
US8785489, 5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(2S)-tetrahydrofuran-2-ylmethyl]-1H-imidazole-2-carboxamide
CID 135887096

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazole-2-carboxamide?
The IUPAC name of N-(furan-3-ylmethyl)-5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazole-2-carboxamide (CID 135887111) is N-(furan-3-ylmethyl)-5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-(furan-3-ylmethyl)-5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazole-2-carboxamide?
The canonical SMILES for N-(furan-3-ylmethyl)-5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazole-2-carboxamide is Cc1noc(-c2cc3cc(-c4nc(C(=O)NCc5ccoc5)[nH]c4C)ccc3[nH]2)n1.
What is the InChIKey of N-(furan-3-ylmethyl)-5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazole-2-carboxamide?
The InChIKey is AVFMXGXIWICDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O3/c1-11-18(26-19(23-11)20(28)22-9-13-5-6-29-10-13)14-3-4-16-15(7-14)8-17(25-16)21-24-12(2)27-30-21/h3-8,10,25H,9H2,1-2H3,(H,22,28)(H,23,26).
What are the key properties of N-(furan-3-ylmethyl)-5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazole-2-carboxamide?
N-(furan-3-ylmethyl)-5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazole-2-carboxamide has a molecular weight of 402.41 g/mol, XLogP of 3.75, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 135887111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).