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

C20H18N6O2 — CID 53178816

IUPACN-benzyl-1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
SMILESCCc1noc(-c2ccc(-n3cnc(C(=O)NCc4ccccc4)c3)nc2)n1
InChIInChI=1S/C20H18N6O2/c1-2-17-24-20(28-25-17)15-8-9-18(21-11-15)26-12-16(23-13-26)19(27)22-10-14-6-4-3-5-7-14/h3-9,11-13H,2,10H2,1H3,(H,22,27)
InChIKeyLONABOXSJXEMBL-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.81
Rot. Bonds6

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

N-benzyl-1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide (PubChem CID 53178816) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-benzyl-1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
PubChem CID53178816
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC NameN-benzyl-1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
SMILESCCc1noc(-c2ccc(-n3cnc(C(=O)NCc4ccccc4)c3)nc2)n1
InChIInChI=1S/C20H18N6O2/c1-2-17-24-20(28-25-17)15-8-9-18(21-11-15)26-12-16(23-13-26)19(27)22-10-14-6-4-3-5-7-14/h3-9,11-13H,2,10H2,1H3,(H,22,27)
InChIKeyLONABOXSJXEMBL-UHFFFAOYSA-N
XLogP2.81
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylate
CID 97032631
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(2-phenylethyl)imidazole-4-carboxamide
CID 53178803
N-benzyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53490029
N-[(3-bromophenyl)methyl]-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53178799
N-[(4-methoxyphenyl)methyl]-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53489805
N-benzyl-2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide
CID 53154005
1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(pyridin-2-ylmethyl)imidazole-4-carboxamide
CID 53490021
1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide
CID 53490010
N-[(4-methylphenyl)methyl]-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53489920
N-cyclohexyl-1-[5-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53178836
1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide
CID 53178850
1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide
CID 53178904

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
The IUPAC name of N-benzyl-1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide (CID 53178816) is N-benzyl-1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
The canonical SMILES for N-benzyl-1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide is CCc1noc(-c2ccc(-n3cnc(C(=O)NCc4ccccc4)c3)nc2)n1.
What is the InChIKey of N-benzyl-1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
The InChIKey is LONABOXSJXEMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-2-17-24-20(28-25-17)15-8-9-18(21-11-15)26-12-16(23-13-26)19(27)22-10-14-6-4-3-5-7-14/h3-9,11-13H,2,10H2,1H3,(H,22,27).
What are the key properties of N-benzyl-1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
N-benzyl-1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide is sourced from PubChem (CID 53178816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).