N-[1-[3-(2-methyl-1H-benzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide

C19H17N5O2 — CID 167809122

IUPACN-[1-[3-(2-methyl-1H-benzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESCc1nc2c(-c3noc(C(C)NC(=O)c4ccccc4)n3)cccc2[nH]1
InChIInChI=1S/C19H17N5O2/c1-11(20-18(25)13-7-4-3-5-8-13)19-23-17(24-26-19)14-9-6-10-15-16(14)22-12(2)21-15/h3-11H,1-2H3,(H,20,25)(H,21,22)
InChIKeyJGPORVZEINJOLE-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.41
Rot. Bonds4

About N-[1-[3-(2-methyl-1H-benzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide

N-[1-[3-(2-methyl-1H-benzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide (PubChem CID 167809122) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is N-[1-[3-(2-methyl-1H-benzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[1-[3-(2-methyl-1H-benzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
PubChem CID167809122
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC NameN-[1-[3-(2-methyl-1H-benzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESCc1nc2c(-c3noc(C(C)NC(=O)c4ccccc4)n3)cccc2[nH]1
InChIInChI=1S/C19H17N5O2/c1-11(20-18(25)13-7-4-3-5-8-13)19-23-17(24-26-19)14-9-6-10-15-16(14)22-12(2)21-15/h3-11H,1-2H3,(H,20,25)(H,21,22)
InChIKeyJGPORVZEINJOLE-UHFFFAOYSA-N
XLogP3.41
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbenzamide
CID 17101552
3-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 17101235
N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101424
N-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methoxybenzamide
CID 17101554
2-methyl-N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazole-4-carboxamide
CID 131905398
3-methyl-N-[1-[3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 166382841
N-[2-methyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]benzamide
CID 83288740
4-fluoro-N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101349
N-[1-[3-(3-methylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 53172588
N-[(1R)-1-[3-(3-methylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 95102290
N-[1-[3-[4-(ethylsulfonylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 20972370
7-(4-fluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-phenyl-3H-benzimidazole-5-carboxamide
CID 46916369

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-methyl-1H-benzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The IUPAC name of N-[1-[3-(2-methyl-1H-benzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide (CID 167809122) is N-[1-[3-(2-methyl-1H-benzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide.
What is the SMILES notation for N-[1-[3-(2-methyl-1H-benzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The canonical SMILES for N-[1-[3-(2-methyl-1H-benzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide is Cc1nc2c(-c3noc(C(C)NC(=O)c4ccccc4)n3)cccc2[nH]1.
What is the InChIKey of N-[1-[3-(2-methyl-1H-benzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The InChIKey is JGPORVZEINJOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-11(20-18(25)13-7-4-3-5-8-13)19-23-17(24-26-19)14-9-6-10-15-16(14)22-12(2)21-15/h3-11H,1-2H3,(H,20,25)(H,21,22).
What are the key properties of N-[1-[3-(2-methyl-1H-benzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
N-[1-[3-(2-methyl-1H-benzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide has a molecular weight of 347.38 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2-methyl-1H-benzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 167809122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).