4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide

C13H14ClN3O2 — CID 2234663

IUPAC4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide
SMILESCNC(=O)CCCc1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C13H14ClN3O2/c1-15-11(18)7-4-8-12-16-13(17-19-12)9-5-2-3-6-10(9)14/h2-3,5-6H,4,7-8H2,1H3,(H,15,18)
InChIKeyBGAMNTIKOWCPAU-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.46
Rot. Bonds5

About 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide

4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide (PubChem CID 2234663) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide.

Molecular Properties

Compound Name4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide
PubChem CID2234663
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide
SMILESCNC(=O)CCCc1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C13H14ClN3O2/c1-15-11(18)7-4-8-12-16-13(17-19-12)9-5-2-3-6-10(9)14/h2-3,5-6H,4,7-8H2,1H3,(H,15,18)
InChIKeyBGAMNTIKOWCPAU-UHFFFAOYSA-N
XLogP2.46
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide?
The IUPAC name of 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide (CID 2234663) is 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide.
What is the SMILES notation for 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide?
The canonical SMILES for 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide is CNC(=O)CCCc1nc(-c2ccccc2Cl)no1.
What is the InChIKey of 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide?
The InChIKey is BGAMNTIKOWCPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-15-11(18)7-4-8-12-16-13(17-19-12)9-5-2-3-6-10(9)14/h2-3,5-6H,4,7-8H2,1H3,(H,15,18).
What are the key properties of 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide?
4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide has a molecular weight of 279.73 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide is sourced from PubChem (CID 2234663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).