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

C15H17N3O2 — CID 91917580

IUPACN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCc2noc(C3CC3)n2)c1
InChIInChI=1S/C15H17N3O2/c1-10-3-2-4-12(9-10)14(19)16-8-7-13-17-15(20-18-13)11-5-6-11/h2-4,9,11H,5-8H2,1H3,(H,16,19)
InChIKeyKLFKGCQGDWKMGV-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.23
Rot. Bonds5

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

N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-methylbenzamide (PubChem CID 91917580) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-methylbenzamide
PubChem CID91917580
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCc2noc(C3CC3)n2)c1
InChIInChI=1S/C15H17N3O2/c1-10-3-2-4-12(9-10)14(19)16-8-7-13-17-15(20-18-13)11-5-6-11/h2-4,9,11H,5-8H2,1H3,(H,16,19)
InChIKeyKLFKGCQGDWKMGV-UHFFFAOYSA-N
XLogP2.23
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.23
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]-3-methylbenzamide?
The IUPAC name of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-methylbenzamide (CID 91917580) is N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-methylbenzamide is Cc1cccc(C(=O)NCCc2noc(C3CC3)n2)c1.
What is the InChIKey of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-methylbenzamide?
The InChIKey is KLFKGCQGDWKMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-3-2-4-12(9-10)14(19)16-8-7-13-17-15(20-18-13)11-5-6-11/h2-4,9,11H,5-8H2,1H3,(H,16,19).
What are the key properties of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-methylbenzamide?
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-methylbenzamide has a molecular weight of 271.32 g/mol, XLogP of 2.23, 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]-3-methylbenzamide is sourced from PubChem (CID 91917580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).