1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]imidazole-4-carboxamide

C23H23FN6O2 — CID 95104412

IUPAC1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]imidazole-4-carboxamide
SMILESC[C@H](NC(=O)c1cn(-c2cc(-c3nc(C(C)(C)C)no3)ccn2)cn1)c1ccc(F)cc1
InChIInChI=1S/C23H23FN6O2/c1-14(15-5-7-17(24)8-6-15)27-20(31)18-12-30(13-26-18)19-11-16(9-10-25-19)21-28-22(29-32-21)23(2,3)4/h5-14H,1-4H3,(H,27,31)/t14-/m0/s1
InChIKeyRZZTYSBQSIRQGX-AWEZNQCLSA-N
MW434.48 g/mol
LogP4.24
Rot. Bonds5

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

1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]imidazole-4-carboxamide (PubChem CID 95104412) has the molecular formula C23H23FN6O2 and a molecular weight of 434.48 g/mol. Its IUPAC name is 1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]imidazole-4-carboxamide
PubChem CID95104412
Molecular FormulaC23H23FN6O2
Molecular Weight434.48 g/mol
Exact Mass434.19
IUPAC Name1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]imidazole-4-carboxamide
SMILESC[C@H](NC(=O)c1cn(-c2cc(-c3nc(C(C)(C)C)no3)ccn2)cn1)c1ccc(F)cc1
InChIInChI=1S/C23H23FN6O2/c1-14(15-5-7-17(24)8-6-15)27-20(31)18-12-30(13-26-18)19-11-16(9-10-25-19)21-28-22(29-32-21)23(2,3)4/h5-14H,1-4H3,(H,27,31)/t14-/m0/s1
InChIKeyRZZTYSBQSIRQGX-AWEZNQCLSA-N
XLogP4.24
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1R)-1-phenylethyl]imidazole-4-carboxamide
CID 95104411
1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(4-fluorophenyl)methyl]imidazole-4-carboxamide
CID 53489889
1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(4-propan-2-ylphenyl)methyl]imidazole-4-carboxamide
CID 53489878
1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-cyclopropylimidazole-4-carboxamide
CID 53178733
N-[1-(3,4-dimethoxyphenyl)ethyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53489865
N-[(2R)-butan-2-yl]-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 95104418
N-[(2S)-butan-2-yl]-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 95104419
N-[1-(3,4-dimethoxyphenyl)ethyl]-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53490013
1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-propan-2-ylimidazole-4-carboxamide
CID 53178659
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-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]imidazole-4-carboxamide
CID 95560076
1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(2-methylpropyl)imidazole-4-carboxamide
CID 53178866

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]imidazole-4-carboxamide?
The IUPAC name of 1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]imidazole-4-carboxamide (CID 95104412) is 1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]imidazole-4-carboxamide?
The canonical SMILES for 1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]imidazole-4-carboxamide is C[C@H](NC(=O)c1cn(-c2cc(-c3nc(C(C)(C)C)no3)ccn2)cn1)c1ccc(F)cc1.
What is the InChIKey of 1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]imidazole-4-carboxamide?
The InChIKey is RZZTYSBQSIRQGX-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H23FN6O2/c1-14(15-5-7-17(24)8-6-15)27-20(31)18-12-30(13-26-18)19-11-16(9-10-25-19)21-28-22(29-32-21)23(2,3)4/h5-14H,1-4H3,(H,27,31)/t14-/m0/s1.
What are the key properties of 1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]imidazole-4-carboxamide?
1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]imidazole-4-carboxamide has a molecular weight of 434.48 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]imidazole-4-carboxamide is sourced from PubChem (CID 95104412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).