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

C21H20N6O2 — CID 53489868

IUPAC1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(3-phenylpropyl)imidazole-4-carboxamide
SMILESCc1noc(-c2ccnc(-n3cnc(C(=O)NCCCc4ccccc4)c3)c2)n1
InChIInChI=1S/C21H20N6O2/c1-15-25-21(29-26-15)17-9-11-22-19(12-17)27-13-18(24-14-27)20(28)23-10-5-8-16-6-3-2-4-7-16/h2-4,6-7,9,11-14H,5,8,10H2,1H3,(H,23,28)
InChIKeyQCGMXKWEOLTYDX-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.99
Rot. Bonds7

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

1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(3-phenylpropyl)imidazole-4-carboxamide (PubChem CID 53489868) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(3-phenylpropyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(3-phenylpropyl)imidazole-4-carboxamide
PubChem CID53489868
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(3-phenylpropyl)imidazole-4-carboxamide
SMILESCc1noc(-c2ccnc(-n3cnc(C(=O)NCCCc4ccccc4)c3)c2)n1
InChIInChI=1S/C21H20N6O2/c1-15-25-21(29-26-15)17-9-11-22-19(12-17)27-13-18(24-14-27)20(28)23-10-5-8-16-6-3-2-4-7-16/h2-4,6-7,9,11-14H,5,8,10H2,1H3,(H,23,28)
InChIKeyQCGMXKWEOLTYDX-UHFFFAOYSA-N
XLogP2.99
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.99
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

1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2S)-4-phenylbutan-2-yl]imidazole-4-carboxamide
CID 95560087
N-[(4-ethylphenyl)methyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53178621
N-[(3-methoxyphenyl)methyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53178623
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(2-phenylethyl)imidazole-4-carboxamide
CID 53178803
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide
CID 53489862
N-[2-(4-chlorophenyl)ethyl]-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53490015
N-[(4-methylphenyl)methyl]-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53489920
1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(pyridin-2-ylmethyl)imidazole-4-carboxamide
CID 53490021
[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-morpholin-4-ylmethanone
CID 53178647
N-[(3-methoxyphenyl)methyl]-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53489924
N-[(4-ethylphenyl)methyl]-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53489966
N-[(4-chlorophenyl)methyl]-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53489939

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(3-phenylpropyl)imidazole-4-carboxamide?
The IUPAC name of 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(3-phenylpropyl)imidazole-4-carboxamide (CID 53489868) is 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(3-phenylpropyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(3-phenylpropyl)imidazole-4-carboxamide?
The canonical SMILES for 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(3-phenylpropyl)imidazole-4-carboxamide is Cc1noc(-c2ccnc(-n3cnc(C(=O)NCCCc4ccccc4)c3)c2)n1.
What is the InChIKey of 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(3-phenylpropyl)imidazole-4-carboxamide?
The InChIKey is QCGMXKWEOLTYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-15-25-21(29-26-15)17-9-11-22-19(12-17)27-13-18(24-14-27)20(28)23-10-5-8-16-6-3-2-4-7-16/h2-4,6-7,9,11-14H,5,8,10H2,1H3,(H,23,28).
What are the key properties of 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(3-phenylpropyl)imidazole-4-carboxamide?
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(3-phenylpropyl)imidazole-4-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(3-phenylpropyl)imidazole-4-carboxamide is sourced from PubChem (CID 53489868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).