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

C21H19FN6O2 — CID 53178605

IUPACN-(3-fluoro-4-methylphenyl)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cn(-c3ncccc3-c3nc(C(C)C)no3)cn2)cc1F
InChIInChI=1S/C21H19FN6O2/c1-12(2)18-26-21(30-27-18)15-5-4-8-23-19(15)28-10-17(24-11-28)20(29)25-14-7-6-13(3)16(22)9-14/h4-12H,1-3H3,(H,25,29)
InChIKeyIPWZBZTUHPAJJS-UHFFFAOYSA-N
MW406.42 g/mol
LogP4.14
Rot. Bonds5

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

N-(3-fluoro-4-methylphenyl)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide (PubChem CID 53178605) has the molecular formula C21H19FN6O2 and a molecular weight of 406.42 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
PubChem CID53178605
Molecular FormulaC21H19FN6O2
Molecular Weight406.42 g/mol
Exact Mass406.16
IUPAC NameN-(3-fluoro-4-methylphenyl)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cn(-c3ncccc3-c3nc(C(C)C)no3)cn2)cc1F
InChIInChI=1S/C21H19FN6O2/c1-12(2)18-26-21(30-27-18)15-5-4-8-23-19(15)28-10-17(24-11-28)20(29)25-14-7-6-13(3)16(22)9-14/h4-12H,1-3H3,(H,25,29)
InChIKeyIPWZBZTUHPAJJS-UHFFFAOYSA-N
XLogP4.14
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(3-fluoro-4-methylphenyl)imidazole-4-carboxamide
CID 53178575
N-(4-chlorophenyl)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53178604
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
N-[(2-methylphenyl)methyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53178562
1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]imidazole-4-carboxamide
CID 95560131
1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(3-phenylpropyl)imidazole-4-carboxamide
CID 53490096
N-[(4-fluorophenyl)methyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53490058
1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylic acid
CID 53353072
1-(2-aminoethyl)-N-(3-fluoro-4-methylphenyl)imidazole-4-carboxamide
CID 107495701
N-cyclohexyl-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53178762
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-(3-fluoro-4-methylphenyl)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide (CID 53178605) is N-(3-fluoro-4-methylphenyl)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide is Cc1ccc(NC(=O)c2cn(-c3ncccc3-c3nc(C(C)C)no3)cn2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
The InChIKey is IPWZBZTUHPAJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O2/c1-12(2)18-26-21(30-27-18)15-5-4-8-23-19(15)28-10-17(24-11-28)20(29)25-14-7-6-13(3)16(22)9-14/h4-12H,1-3H3,(H,25,29).
What are the key properties of N-(3-fluoro-4-methylphenyl)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
N-(3-fluoro-4-methylphenyl)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide has a molecular weight of 406.42 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide is sourced from PubChem (CID 53178605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).