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

C19H17N5O2 — CID 22586339

IUPACN-[1-[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1)c1nc(-c2ccc3c(c2)ncn3C)no1
InChIInChI=1S/C19H17N5O2/c1-12(21-18(25)13-6-4-3-5-7-13)19-22-17(23-26-19)14-8-9-16-15(10-14)20-11-24(16)2/h3-12H,1-2H3,(H,21,25)
InChIKeyTYJBDZSLIFYSPL-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.11
Rot. Bonds4

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

N-[1-[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide (PubChem CID 22586339) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is N-[1-[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[1-[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
PubChem CID22586339
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC NameN-[1-[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1)c1nc(-c2ccc3c(c2)ncn3C)no1
InChIInChI=1S/C19H17N5O2/c1-12(21-18(25)13-6-4-3-5-7-13)19-22-17(23-26-19)14-8-9-16-15(10-14)20-11-24(16)2/h3-12H,1-2H3,(H,21,25)
InChIKeyTYJBDZSLIFYSPL-UHFFFAOYSA-N
XLogP3.11
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-[3-(3-methylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 95102290
N-[1-[3-(3-methylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 53172588
N-[(1S)-2-methyl-1-[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide
CID 92502530
N-[1-[3-(3-methyl-2-oxo-1-propylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 53041991
N-[1-[3-(1-cyclopentylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 22586328
N-[1-[3-(3-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 53172631
3-(1-methylbenzimidazol-5-yl)-5-phenyl-1,2,4-oxadiazole
CID 122231731
N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101424
N-[(1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 166519137
3-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 17101235
N-[1-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 53043089
N-[1-[3-[4-(ethylsulfonylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 20972370

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The IUPAC name of N-[1-[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide (CID 22586339) is N-[1-[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide.
What is the SMILES notation for N-[1-[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The canonical SMILES for N-[1-[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide is CC(NC(=O)c1ccccc1)c1nc(-c2ccc3c(c2)ncn3C)no1.
What is the InChIKey of N-[1-[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The InChIKey is TYJBDZSLIFYSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-12(21-18(25)13-6-4-3-5-7-13)19-22-17(23-26-19)14-8-9-16-15(10-14)20-11-24(16)2/h3-12H,1-2H3,(H,21,25).
What are the key properties of N-[1-[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
N-[1-[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide has a molecular weight of 347.38 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 22586339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).