3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide

C13H15N3O3 — CID 3159497

IUPAC3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
SMILESCNC(=O)CCc1nc(-c2ccc(OC)cc2)no1
InChIInChI=1S/C13H15N3O3/c1-14-11(17)7-8-12-15-13(16-19-12)9-3-5-10(18-2)6-4-9/h3-6H,7-8H2,1-2H3,(H,14,17)
InChIKeyRDZZIKCCYRWYHT-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.42
Rot. Bonds5

About 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide

3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide (PubChem CID 3159497) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
PubChem CID3159497
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
SMILESCNC(=O)CCc1nc(-c2ccc(OC)cc2)no1
InChIInChI=1S/C13H15N3O3/c1-14-11(17)7-8-12-15-13(16-19-12)9-3-5-10(18-2)6-4-9/h3-6H,7-8H2,1-2H3,(H,14,17)
InChIKeyRDZZIKCCYRWYHT-UHFFFAOYSA-N
XLogP1.42
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide?
The IUPAC name of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide (CID 3159497) is 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide?
The canonical SMILES for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide is CNC(=O)CCc1nc(-c2ccc(OC)cc2)no1.
What is the InChIKey of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide?
The InChIKey is RDZZIKCCYRWYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-14-11(17)7-8-12-15-13(16-19-12)9-3-5-10(18-2)6-4-9/h3-6H,7-8H2,1-2H3,(H,14,17).
What are the key properties of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide?
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide has a molecular weight of 261.28 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide is sourced from PubChem (CID 3159497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).