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

C17H15N3O2 — CID 4976372

IUPACN-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
SMILESO=C(NCCc1nc(-c2ccccc2)no1)c1ccccc1
InChIInChI=1S/C17H15N3O2/c21-17(14-9-5-2-6-10-14)18-12-11-15-19-16(20-22-15)13-7-3-1-4-8-13/h1-10H,11-12H2,(H,18,21)
InChIKeyBBMSJYXSJCLHBB-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.71
Rot. Bonds5

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

N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide (PubChem CID 4976372) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
PubChem CID4976372
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
SMILESO=C(NCCc1nc(-c2ccccc2)no1)c1ccccc1
InChIInChI=1S/C17H15N3O2/c21-17(14-9-5-2-6-10-14)18-12-11-15-19-16(20-22-15)13-7-3-1-4-8-13/h1-10H,11-12H2,(H,18,21)
InChIKeyBBMSJYXSJCLHBB-UHFFFAOYSA-N
XLogP2.71
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The IUPAC name of N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide (CID 4976372) is N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide.
What is the SMILES notation for N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The canonical SMILES for N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide is O=C(NCCc1nc(-c2ccccc2)no1)c1ccccc1.
What is the InChIKey of N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The InChIKey is BBMSJYXSJCLHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c21-17(14-9-5-2-6-10-14)18-12-11-15-19-16(20-22-15)13-7-3-1-4-8-13/h1-10H,11-12H2,(H,18,21).
What are the key properties of N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide has a molecular weight of 293.33 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 4976372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).