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

C22H24N6O3 — CID 135887109

IUPAC5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(oxan-4-ylmethyl)-1H-imidazole-2-carboxamide
SMILESCc1noc(-c2cc3cc(-c4nc(C(=O)NCC5CCOCC5)[nH]c4C)ccc3[nH]2)n1
InChIInChI=1S/C22H24N6O3/c1-12-19(27-20(24-12)21(29)23-11-14-5-7-30-8-6-14)15-3-4-17-16(9-15)10-18(26-17)22-25-13(2)28-31-22/h3-4,9-10,14,26H,5-8,11H2,1-2H3,(H,23,29)(H,24,27)
InChIKeyCSHVOGDCWJKKII-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.38
Rot. Bonds5

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

5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(oxan-4-ylmethyl)-1H-imidazole-2-carboxamide (PubChem CID 135887109) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is 5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(oxan-4-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-(oxan-4-ylmethyl)-1H-imidazole-2-carboxamide
PubChem CID135887109
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC Name5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(oxan-4-ylmethyl)-1H-imidazole-2-carboxamide
SMILESCc1noc(-c2cc3cc(-c4nc(C(=O)NCC5CCOCC5)[nH]c4C)ccc3[nH]2)n1
InChIInChI=1S/C22H24N6O3/c1-12-19(27-20(24-12)21(29)23-11-14-5-7-30-8-6-14)15-3-4-17-16(9-15)10-18(26-17)22-25-13(2)28-31-22/h3-4,9-10,14,26H,5-8,11H2,1-2H3,(H,23,29)(H,24,27)
InChIKeyCSHVOGDCWJKKII-UHFFFAOYSA-N
XLogP3.38
TPSA121.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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-(oxan-4-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-(oxan-4-ylmethyl)-1H-imidazole-2-carboxamide (CID 135887109) is 5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(oxan-4-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-(oxan-4-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-(oxan-4-ylmethyl)-1H-imidazole-2-carboxamide is Cc1noc(-c2cc3cc(-c4nc(C(=O)NCC5CCOCC5)[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-(oxan-4-ylmethyl)-1H-imidazole-2-carboxamide?
The InChIKey is CSHVOGDCWJKKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3/c1-12-19(27-20(24-12)21(29)23-11-14-5-7-30-8-6-14)15-3-4-17-16(9-15)10-18(26-17)22-25-13(2)28-31-22/h3-4,9-10,14,26H,5-8,11H2,1-2H3,(H,23,29)(H,24,27).
What are the key properties of 5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(oxan-4-ylmethyl)-1H-imidazole-2-carboxamide?
5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(oxan-4-ylmethyl)-1H-imidazole-2-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 3.38, 5 rotatable bonds, 3 hydrogen bond donors, and 6 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-(oxan-4-ylmethyl)-1H-imidazole-2-carboxamide is sourced from PubChem (CID 135887109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).