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

C22H21FN6O2 — CID 53178575

IUPAC1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(3-fluoro-4-methylphenyl)imidazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cn(-c3ncccc3-c3nc(C(C)(C)C)no3)cn2)cc1F
InChIInChI=1S/C22H21FN6O2/c1-13-7-8-14(10-16(13)23)26-19(30)17-11-29(12-25-17)18-15(6-5-9-24-18)20-27-21(28-31-20)22(2,3)4/h5-12H,1-4H3,(H,26,30)
InChIKeyZKQGFVJDUONEIN-UHFFFAOYSA-N
MW420.45 g/mol
LogP4.31
Rot. Bonds4

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

1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(3-fluoro-4-methylphenyl)imidazole-4-carboxamide (PubChem CID 53178575) has the molecular formula C22H21FN6O2 and a molecular weight of 420.45 g/mol. Its IUPAC name is 1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(3-fluoro-4-methylphenyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(3-fluoro-4-methylphenyl)imidazole-4-carboxamide
PubChem CID53178575
Molecular FormulaC22H21FN6O2
Molecular Weight420.45 g/mol
Exact Mass420.17
IUPAC Name1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(3-fluoro-4-methylphenyl)imidazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cn(-c3ncccc3-c3nc(C(C)(C)C)no3)cn2)cc1F
InChIInChI=1S/C22H21FN6O2/c1-13-7-8-14(10-16(13)23)26-19(30)17-11-29(12-25-17)18-15(6-5-9-24-18)20-27-21(28-31-20)22(2,3)4/h5-12H,1-4H3,(H,26,30)
InChIKeyZKQGFVJDUONEIN-UHFFFAOYSA-N
XLogP4.31
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 54.31
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
N-(3-fluorophenyl)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53178475
1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(3-phenylpropyl)imidazole-4-carboxamide
CID 53490096
N-(4-chlorophenyl)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53178604
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
N-benzyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53490029
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
1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-cyclopropylimidazole-4-carboxamide
CID 53178733
N-[(2,4-dimethoxyphenyl)methyl]-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53490034

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(3-fluoro-4-methylphenyl)imidazole-4-carboxamide?
The IUPAC name of 1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(3-fluoro-4-methylphenyl)imidazole-4-carboxamide (CID 53178575) is 1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(3-fluoro-4-methylphenyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(3-fluoro-4-methylphenyl)imidazole-4-carboxamide?
The canonical SMILES for 1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(3-fluoro-4-methylphenyl)imidazole-4-carboxamide is Cc1ccc(NC(=O)c2cn(-c3ncccc3-c3nc(C(C)(C)C)no3)cn2)cc1F.
What is the InChIKey of 1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(3-fluoro-4-methylphenyl)imidazole-4-carboxamide?
The InChIKey is ZKQGFVJDUONEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O2/c1-13-7-8-14(10-16(13)23)26-19(30)17-11-29(12-25-17)18-15(6-5-9-24-18)20-27-21(28-31-20)22(2,3)4/h5-12H,1-4H3,(H,26,30).
What are the key properties of 1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(3-fluoro-4-methylphenyl)imidazole-4-carboxamide?
1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(3-fluoro-4-methylphenyl)imidazole-4-carboxamide has a molecular weight of 420.45 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(3-fluoro-4-methylphenyl)imidazole-4-carboxamide is sourced from PubChem (CID 53178575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).