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

C21H22N6O3 — CID 135887095

IUPAC5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(oxolan-2-ylmethyl)-1H-imidazole-2-carboxamide
SMILESCc1noc(-c2cc3cc(-c4nc(C(=O)NCC5CCCO5)[nH]c4C)ccc3[nH]2)n1
InChIInChI=1S/C21H22N6O3/c1-11-18(26-19(23-11)20(28)22-10-15-4-3-7-29-15)13-5-6-16-14(8-13)9-17(25-16)21-24-12(2)27-30-21/h5-6,8-9,15,25H,3-4,7,10H2,1-2H3,(H,22,28)(H,23,26)
InChIKeyXVRHEGHPYISRFU-UHFFFAOYSA-N
MW406.45 g/mol
LogP3.13
Rot. Bonds5

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

5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(oxolan-2-ylmethyl)-1H-imidazole-2-carboxamide (PubChem CID 135887095) has the molecular formula C21H22N6O3 and a molecular weight of 406.45 g/mol. Its IUPAC name is 5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(oxolan-2-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-(oxolan-2-ylmethyl)-1H-imidazole-2-carboxamide
PubChem CID135887095
Molecular FormulaC21H22N6O3
Molecular Weight406.45 g/mol
Exact Mass406.18
IUPAC Name5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(oxolan-2-ylmethyl)-1H-imidazole-2-carboxamide
SMILESCc1noc(-c2cc3cc(-c4nc(C(=O)NCC5CCCO5)[nH]c4C)ccc3[nH]2)n1
InChIInChI=1S/C21H22N6O3/c1-11-18(26-19(23-11)20(28)22-10-15-4-3-7-29-15)13-5-6-16-14(8-13)9-17(25-16)21-24-12(2)27-30-21/h5-6,8-9,15,25H,3-4,7,10H2,1-2H3,(H,22,28)(H,23,26)
InChIKeyXVRHEGHPYISRFU-UHFFFAOYSA-N
XLogP3.13
TPSA121.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 53.13
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-(oxolan-2-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-(oxolan-2-ylmethyl)-1H-imidazole-2-carboxamide (CID 135887095) is 5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(oxolan-2-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-(oxolan-2-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-(oxolan-2-ylmethyl)-1H-imidazole-2-carboxamide is Cc1noc(-c2cc3cc(-c4nc(C(=O)NCC5CCCO5)[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-(oxolan-2-ylmethyl)-1H-imidazole-2-carboxamide?
The InChIKey is XVRHEGHPYISRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O3/c1-11-18(26-19(23-11)20(28)22-10-15-4-3-7-29-15)13-5-6-16-14(8-13)9-17(25-16)21-24-12(2)27-30-21/h5-6,8-9,15,25H,3-4,7,10H2,1-2H3,(H,22,28)(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-(oxolan-2-ylmethyl)-1H-imidazole-2-carboxamide?
5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(oxolan-2-ylmethyl)-1H-imidazole-2-carboxamide has a molecular weight of 406.45 g/mol, XLogP of 3.13, 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-(oxolan-2-ylmethyl)-1H-imidazole-2-carboxamide is sourced from PubChem (CID 135887095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).