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

C20H17N7O3 — CID 135887132

IUPAC5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(1,2-oxazol-5-ylmethyl)-1H-imidazole-2-carboxamide
SMILESCc1noc(-c2cc3cc(-c4nc(C(=O)NCc5ccno5)[nH]c4C)ccc3[nH]2)n1
InChIInChI=1S/C20H17N7O3/c1-10-17(26-18(23-10)19(28)21-9-14-5-6-22-29-14)12-3-4-15-13(7-12)8-16(25-15)20-24-11(2)27-30-20/h3-8,25H,9H2,1-2H3,(H,21,28)(H,23,26)
InChIKeyMZWABMLKERRCLG-UHFFFAOYSA-N
MW403.40 g/mol
LogP3.14
Rot. Bonds5

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

5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(1,2-oxazol-5-ylmethyl)-1H-imidazole-2-carboxamide (PubChem CID 135887132) has the molecular formula C20H17N7O3 and a molecular weight of 403.40 g/mol. Its IUPAC name is 5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(1,2-oxazol-5-ylmethyl)-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(1,2-oxazol-5-ylmethyl)-1H-imidazole-2-carboxamide
PubChem CID135887132
Molecular FormulaC20H17N7O3
Molecular Weight403.40 g/mol
Exact Mass403.14
IUPAC Name5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(1,2-oxazol-5-ylmethyl)-1H-imidazole-2-carboxamide
SMILESCc1noc(-c2cc3cc(-c4nc(C(=O)NCc5ccno5)[nH]c4C)ccc3[nH]2)n1
InChIInChI=1S/C20H17N7O3/c1-10-17(26-18(23-10)19(28)21-9-14-5-6-22-29-14)12-3-4-15-13(7-12)8-16(25-15)20-24-11(2)27-30-20/h3-8,25H,9H2,1-2H3,(H,21,28)(H,23,26)
InChIKeyMZWABMLKERRCLG-UHFFFAOYSA-N
XLogP3.14
TPSA138.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(1,2-oxazol-5-ylmethyl)-1H-imidazole-2-carboxamide?
The IUPAC name of 5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(1,2-oxazol-5-ylmethyl)-1H-imidazole-2-carboxamide (CID 135887132) is 5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(1,2-oxazol-5-ylmethyl)-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(1,2-oxazol-5-ylmethyl)-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(1,2-oxazol-5-ylmethyl)-1H-imidazole-2-carboxamide is Cc1noc(-c2cc3cc(-c4nc(C(=O)NCc5ccno5)[nH]c4C)ccc3[nH]2)n1.
What is the InChIKey of 5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(1,2-oxazol-5-ylmethyl)-1H-imidazole-2-carboxamide?
The InChIKey is MZWABMLKERRCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O3/c1-10-17(26-18(23-10)19(28)21-9-14-5-6-22-29-14)12-3-4-15-13(7-12)8-16(25-15)20-24-11(2)27-30-20/h3-8,25H,9H2,1-2H3,(H,21,28)(H,23,26).
What are the key properties of 5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(1,2-oxazol-5-ylmethyl)-1H-imidazole-2-carboxamide?
5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(1,2-oxazol-5-ylmethyl)-1H-imidazole-2-carboxamide has a molecular weight of 403.40 g/mol, XLogP of 3.14, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(1,2-oxazol-5-ylmethyl)-1H-imidazole-2-carboxamide is sourced from PubChem (CID 135887132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).