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

C24H26N6O2 — CID 53490096

IUPAC1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(3-phenylpropyl)imidazole-4-carboxamide
SMILESCC(C)(C)c1noc(-c2cccnc2-n2cnc(C(=O)NCCCc3ccccc3)c2)n1
InChIInChI=1S/C24H26N6O2/c1-24(2,3)23-28-22(32-29-23)18-12-8-13-25-20(18)30-15-19(27-16-30)21(31)26-14-7-11-17-9-5-4-6-10-17/h4-6,8-10,12-13,15-16H,7,11,14H2,1-3H3,(H,26,31)
InChIKeyKRNPOTICWFKMFA-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.98
Rot. Bonds7

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

1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(3-phenylpropyl)imidazole-4-carboxamide (PubChem CID 53490096) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(3-phenylpropyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(3-phenylpropyl)imidazole-4-carboxamide
PubChem CID53490096
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(3-phenylpropyl)imidazole-4-carboxamide
SMILESCC(C)(C)c1noc(-c2cccnc2-n2cnc(C(=O)NCCCc3ccccc3)c2)n1
InChIInChI=1S/C24H26N6O2/c1-24(2,3)23-28-22(32-29-23)18-12-8-13-25-20(18)30-15-19(27-16-30)21(31)26-14-7-11-17-9-5-4-6-10-17/h4-6,8-10,12-13,15-16H,7,11,14H2,1-3H3,(H,26,31)
InChIKeyKRNPOTICWFKMFA-UHFFFAOYSA-N
XLogP3.98
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53490029
1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(3-fluoro-4-methylphenyl)imidazole-4-carboxamide
CID 53178575
1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]imidazole-4-carboxamide
CID 95560131
N-[(4-fluorophenyl)methyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53490058
N-[(2-methylphenyl)methyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53178562
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(3-phenylpropyl)imidazole-4-carboxamide
CID 53489868
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
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(2-phenylethyl)imidazole-4-carboxamide
CID 53178803
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

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(3-phenylpropyl)imidazole-4-carboxamide?
The IUPAC name of 1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(3-phenylpropyl)imidazole-4-carboxamide (CID 53490096) is 1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(3-phenylpropyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(3-phenylpropyl)imidazole-4-carboxamide?
The canonical SMILES for 1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(3-phenylpropyl)imidazole-4-carboxamide is CC(C)(C)c1noc(-c2cccnc2-n2cnc(C(=O)NCCCc3ccccc3)c2)n1.
What is the InChIKey of 1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(3-phenylpropyl)imidazole-4-carboxamide?
The InChIKey is KRNPOTICWFKMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-24(2,3)23-28-22(32-29-23)18-12-8-13-25-20(18)30-15-19(27-16-30)21(31)26-14-7-11-17-9-5-4-6-10-17/h4-6,8-10,12-13,15-16H,7,11,14H2,1-3H3,(H,26,31).
What are the key properties of 1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(3-phenylpropyl)imidazole-4-carboxamide?
1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(3-phenylpropyl)imidazole-4-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 3.98, 7 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-phenylpropyl)imidazole-4-carboxamide is sourced from PubChem (CID 53490096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).