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

C19H18N6O2 — CID 135887082

IUPACN-cyclopropyl-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)NC5CC5)[nH]c4C)ccc3[nH]2)n1
InChIInChI=1S/C19H18N6O2/c1-9-16(24-17(20-9)18(26)22-13-4-5-13)11-3-6-14-12(7-11)8-15(23-14)19-21-10(2)25-27-19/h3,6-8,13,23H,4-5H2,1-2H3,(H,20,24)(H,22,26)
InChIKeyYTDCXDIMWOECOH-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.12
Rot. Bonds4

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

N-cyclopropyl-5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazole-2-carboxamide (PubChem CID 135887082) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-cyclopropyl-5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazole-2-carboxamide
PubChem CID135887082
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC NameN-cyclopropyl-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)NC5CC5)[nH]c4C)ccc3[nH]2)n1
InChIInChI=1S/C19H18N6O2/c1-9-16(24-17(20-9)18(26)22-13-4-5-13)11-3-6-14-12(7-11)8-15(23-14)19-21-10(2)25-27-19/h3,6-8,13,23H,4-5H2,1-2H3,(H,20,24)(H,22,26)
InChIKeyYTDCXDIMWOECOH-UHFFFAOYSA-N
XLogP3.12
TPSA112.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-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-cyclopropyl-5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazole-2-carboxamide (CID 135887082) is N-cyclopropyl-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-cyclopropyl-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-cyclopropyl-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)NC5CC5)[nH]c4C)ccc3[nH]2)n1.
What is the InChIKey of N-cyclopropyl-5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazole-2-carboxamide?
The InChIKey is YTDCXDIMWOECOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-9-16(24-17(20-9)18(26)22-13-4-5-13)11-3-6-14-12(7-11)8-15(23-14)19-21-10(2)25-27-19/h3,6-8,13,23H,4-5H2,1-2H3,(H,20,24)(H,22,26).
What are the key properties of N-cyclopropyl-5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazole-2-carboxamide?
N-cyclopropyl-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 362.39 g/mol, XLogP of 3.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-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 135887082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).