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

C13H15N3O2 — CID 16760237

IUPACN-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1nc(-c2ccccc2)no1
InChIInChI=1S/C13H15N3O2/c1-2-11(17)14-9-8-12-15-13(16-18-12)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,17)
InChIKeyMLVAMNKAAPYOAS-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.81
Rot. Bonds5

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

N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide (PubChem CID 16760237) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
PubChem CID16760237
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1nc(-c2ccccc2)no1
InChIInChI=1S/C13H15N3O2/c1-2-11(17)14-9-8-12-15-13(16-18-12)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,17)
InChIKeyMLVAMNKAAPYOAS-UHFFFAOYSA-N
XLogP1.81
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.81
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]propanamide?
The IUPAC name of N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide (CID 16760237) is N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide is CCC(=O)NCCc1nc(-c2ccccc2)no1.
What is the InChIKey of N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The InChIKey is MLVAMNKAAPYOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-2-11(17)14-9-8-12-15-13(16-18-12)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,17).
What are the key properties of N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide has a molecular weight of 245.28 g/mol, XLogP of 1.81, 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]propanamide is sourced from PubChem (CID 16760237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).