N-cyclohexyl-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide

C20H24N6O2 — CID 53178762

IUPACN-cyclohexyl-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
SMILESCC(C)c1noc(-c2ccnc(-n3cnc(C(=O)NC4CCCCC4)c3)c2)n1
InChIInChI=1S/C20H24N6O2/c1-13(2)18-24-20(28-25-18)14-8-9-21-17(10-14)26-11-16(22-12-26)19(27)23-15-6-4-3-5-7-15/h8-13,15H,3-7H2,1-2H3,(H,23,27)
InChIKeyYXVYWOQIVUHZCV-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.50
Rot. Bonds5

About N-cyclohexyl-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide

N-cyclohexyl-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide (PubChem CID 53178762) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-cyclohexyl-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
PubChem CID53178762
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC NameN-cyclohexyl-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
SMILESCC(C)c1noc(-c2ccnc(-n3cnc(C(=O)NC4CCCCC4)c3)c2)n1
InChIInChI=1S/C20H24N6O2/c1-13(2)18-24-20(28-25-18)14-8-9-21-17(10-14)26-11-16(22-12-26)19(27)23-15-6-4-3-5-7-15/h8-13,15H,3-7H2,1-2H3,(H,23,27)
InChIKeyYXVYWOQIVUHZCV-UHFFFAOYSA-N
XLogP3.50
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
The IUPAC name of N-cyclohexyl-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide (CID 53178762) is N-cyclohexyl-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide is CC(C)c1noc(-c2ccnc(-n3cnc(C(=O)NC4CCCCC4)c3)c2)n1.
What is the InChIKey of N-cyclohexyl-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
The InChIKey is YXVYWOQIVUHZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-13(2)18-24-20(28-25-18)14-8-9-21-17(10-14)26-11-16(22-12-26)19(27)23-15-6-4-3-5-7-15/h8-13,15H,3-7H2,1-2H3,(H,23,27).
What are the key properties of N-cyclohexyl-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
N-cyclohexyl-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide is sourced from PubChem (CID 53178762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).