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

C20H17ClN6O2 — CID 53178604

IUPACN-(4-chlorophenyl)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
SMILESCC(C)c1noc(-c2cccnc2-n2cnc(C(=O)Nc3ccc(Cl)cc3)c2)n1
InChIInChI=1S/C20H17ClN6O2/c1-12(2)17-25-20(29-26-17)15-4-3-9-22-18(15)27-10-16(23-11-27)19(28)24-14-7-5-13(21)6-8-14/h3-12H,1-2H3,(H,24,28)
InChIKeyVFIMHLHREINQKQ-UHFFFAOYSA-N
MW408.85 g/mol
LogP4.35
Rot. Bonds5

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

N-(4-chlorophenyl)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide (PubChem CID 53178604) has the molecular formula C20H17ClN6O2 and a molecular weight of 408.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
PubChem CID53178604
Molecular FormulaC20H17ClN6O2
Molecular Weight408.85 g/mol
Exact Mass408.11
IUPAC NameN-(4-chlorophenyl)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
SMILESCC(C)c1noc(-c2cccnc2-n2cnc(C(=O)Nc3ccc(Cl)cc3)c2)n1
InChIInChI=1S/C20H17ClN6O2/c1-12(2)17-25-20(29-26-17)15-4-3-9-22-18(15)27-10-16(23-11-27)19(28)24-14-7-5-13(21)6-8-14/h3-12H,1-2H3,(H,24,28)
InChIKeyVFIMHLHREINQKQ-UHFFFAOYSA-N
XLogP4.35
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.85
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-fluoro-4-methylphenyl)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53178605
1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(3-fluoro-4-methylphenyl)imidazole-4-carboxamide
CID 53178575
N-(3-fluorophenyl)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53178475
N-(2,3-dimethylphenyl)-1-[3-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53178511
4-chloro-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 73254044
N-benzyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53490029
1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylic acid
CID 53353072
1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(3-phenylpropyl)imidazole-4-carboxamide
CID 53490096
N-[(2-methylphenyl)methyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53178562
4-chloro-N-[4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]benzamide
CID 47485656
N-[(4-fluorophenyl)methyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53490058
N-[(2R)-butan-2-yl]-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 95104418

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide (CID 53178604) is N-(4-chlorophenyl)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide is CC(C)c1noc(-c2cccnc2-n2cnc(C(=O)Nc3ccc(Cl)cc3)c2)n1.
What is the InChIKey of N-(4-chlorophenyl)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
The InChIKey is VFIMHLHREINQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN6O2/c1-12(2)17-25-20(29-26-17)15-4-3-9-22-18(15)27-10-16(23-11-27)19(28)24-14-7-5-13(21)6-8-14/h3-12H,1-2H3,(H,24,28).
What are the key properties of N-(4-chlorophenyl)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
N-(4-chlorophenyl)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide has a molecular weight of 408.85 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide is sourced from PubChem (CID 53178604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).