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

C14H15N3O2 — CID 91917594

IUPACN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
SMILESO=C(NCCc1noc(C2CC2)n1)c1ccccc1
InChIInChI=1S/C14H15N3O2/c18-13(10-4-2-1-3-5-10)15-9-8-12-16-14(19-17-12)11-6-7-11/h1-5,11H,6-9H2,(H,15,18)
InChIKeySSSHXXPYOTXBNB-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.92
Rot. Bonds5

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

N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide (PubChem CID 91917594) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
PubChem CID91917594
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
SMILESO=C(NCCc1noc(C2CC2)n1)c1ccccc1
InChIInChI=1S/C14H15N3O2/c18-13(10-4-2-1-3-5-10)15-9-8-12-16-14(19-17-12)11-6-7-11/h1-5,11H,6-9H2,(H,15,18)
InChIKeySSSHXXPYOTXBNB-UHFFFAOYSA-N
XLogP1.92
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide?
The IUPAC name of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide (CID 91917594) is N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide?
The canonical SMILES for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide is O=C(NCCc1noc(C2CC2)n1)c1ccccc1.
What is the InChIKey of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide?
The InChIKey is SSSHXXPYOTXBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-13(10-4-2-1-3-5-10)15-9-8-12-16-14(19-17-12)11-6-7-11/h1-5,11H,6-9H2,(H,15,18).
What are the key properties of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide?
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide has a molecular weight of 257.29 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 91917594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).