4-(imidazol-1-ylmethyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide

C20H17N5O2 — CID 86846693

IUPAC4-(imidazol-1-ylmethyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
SMILESCc1nc(-c2cccc(NC(=O)c3ccc(Cn4ccnc4)cc3)c2)no1
InChIInChI=1S/C20H17N5O2/c1-14-22-19(24-27-14)17-3-2-4-18(11-17)23-20(26)16-7-5-15(6-8-16)12-25-10-9-21-13-25/h2-11,13H,12H2,1H3,(H,23,26)
InChIKeyOEDGMLIHCJREDI-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.54
Rot. Bonds5

About 4-(imidazol-1-ylmethyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide

4-(imidazol-1-ylmethyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide (PubChem CID 86846693) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
PubChem CID86846693
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name4-(imidazol-1-ylmethyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
SMILESCc1nc(-c2cccc(NC(=O)c3ccc(Cn4ccnc4)cc3)c2)no1
InChIInChI=1S/C20H17N5O2/c1-14-22-19(24-27-14)17-3-2-4-18(11-17)23-20(26)16-7-5-15(6-8-16)12-25-10-9-21-13-25/h2-11,13H,12H2,1H3,(H,23,26)
InChIKeyOEDGMLIHCJREDI-UHFFFAOYSA-N
XLogP3.54
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetylphenyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43924465
N-[3-(butanoylamino)phenyl]-4-(imidazol-1-ylmethyl)benzamide
CID 87041023
4-(imidazol-1-ylmethyl)-N-[3-(2,2,2-trifluoroethyl)phenyl]benzamide
CID 166201634
N-dibenzofuran-3-yl-4-(imidazol-1-ylmethyl)benzamide
CID 94867844
N-(3-ethylphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46321576
N-(3-chlorophenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46321558
N-(3-chloro-4-methoxyphenyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43922042
N-[4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]phenyl]acetamide
CID 50777698
4-(dimethylamino)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyridine-3-carboxamide
CID 167949316
4-(imidazol-1-ylmethyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 60541926
2-(2-methoxyethylamino)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 119741042
(1R)-2,2-dichloro-N-[3-(imidazol-1-ylmethyl)phenyl]-1-methylcyclopropane-1-carboxamide
CID 32557435

Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?
The IUPAC name of 4-(imidazol-1-ylmethyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide (CID 86846693) is 4-(imidazol-1-ylmethyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide is Cc1nc(-c2cccc(NC(=O)c3ccc(Cn4ccnc4)cc3)c2)no1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?
The InChIKey is OEDGMLIHCJREDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-14-22-19(24-27-14)17-3-2-4-18(11-17)23-20(26)16-7-5-15(6-8-16)12-25-10-9-21-13-25/h2-11,13H,12H2,1H3,(H,23,26).
What are the key properties of 4-(imidazol-1-ylmethyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?
4-(imidazol-1-ylmethyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide has a molecular weight of 359.39 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide is sourced from PubChem (CID 86846693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).