N-ethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide

C17H15N3O2 — CID 3737087

IUPACN-ethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCCNC(=O)c1ccccc1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C17H15N3O2/c1-2-18-16(21)13-10-6-7-11-14(13)17-19-15(20-22-17)12-8-4-3-5-9-12/h3-11H,2H2,1H3,(H,18,21)
InChIKeyVMVPLEMRLRIAEG-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.15
Rot. Bonds4

About N-ethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide

N-ethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide (PubChem CID 3737087) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-ethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
PubChem CID3737087
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN-ethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCCNC(=O)c1ccccc1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C17H15N3O2/c1-2-18-16(21)13-10-6-7-11-14(13)17-19-15(20-22-17)12-8-4-3-5-9-12/h3-11H,2H2,1H3,(H,18,21)
InChIKeyVMVPLEMRLRIAEG-UHFFFAOYSA-N
XLogP3.15
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-Diphenyl-1,2,4-oxadiazole
CID 136695
3-Methyl-5-phenyl-1,2,4-oxadiazole
CID 136937
trans-3-{[(1R)-1-{4-[5-(4-Isobutylphenyl)-1,2,4-oxadiazol-3-yl]Phenyl}ethyl]amino}cyclobutanecarboxylic acid
CID 42610387
5-(4-Methylphenyl)-3-phenyl-1,2,4-oxadiazole
CID 577305
[2-(3-Phenyl-1,2,4-oxadiazol-5-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 665477
Morpholin-4-yl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 2019832
N-ethyl-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 5213518
5-(1-Naphthyl)-3-phenyl-1,2,4-oxadiazole
CID 659576
2-(3-Phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 666146
5-(2-Fluorophenyl)-3-phenyl-1,2,4-oxadiazole
CID 2876651
3-Benzyl-5-phenyl-1,2,4-oxadiazole
CID 4215501
4-(3-Butyl-[1,2,4]oxadiazol-5-yl)-N-(3,3-dimethyl-butyl)-benzamide
CID 9797557

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
The IUPAC name of N-ethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide (CID 3737087) is N-ethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide.
What is the SMILES notation for N-ethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
The canonical SMILES for N-ethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide is CCNC(=O)c1ccccc1-c1nc(-c2ccccc2)no1.
What is the InChIKey of N-ethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
The InChIKey is VMVPLEMRLRIAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-2-18-16(21)13-10-6-7-11-14(13)17-19-15(20-22-17)12-8-4-3-5-9-12/h3-11H,2H2,1H3,(H,18,21).
What are the key properties of N-ethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
N-ethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide has a molecular weight of 293.33 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide is sourced from PubChem (CID 3737087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).