5-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-5-methylpiperidin-2-one

C15H16ClN3O2 — CID 136546663

IUPAC5-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-5-methylpiperidin-2-one
SMILESCc1ccc(-c2noc(C3(C)CCC(=O)NC3)n2)cc1Cl
InChIInChI=1S/C15H16ClN3O2/c1-9-3-4-10(7-11(9)16)13-18-14(21-19-13)15(2)6-5-12(20)17-8-15/h3-4,7H,5-6,8H2,1-2H3,(H,17,20)
InChIKeyGGXKSMMSRQNKRI-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.87
Rot. Bonds2

About 5-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-5-methylpiperidin-2-one

5-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-5-methylpiperidin-2-one (PubChem CID 136546663) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 5-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-5-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-5-methylpiperidin-2-one
PubChem CID136546663
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name5-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-5-methylpiperidin-2-one
SMILESCc1ccc(-c2noc(C3(C)CCC(=O)NC3)n2)cc1Cl
InChIInChI=1S/C15H16ClN3O2/c1-9-3-4-10(7-11(9)16)13-18-14(21-19-13)15(2)6-5-12(20)17-8-15/h3-4,7H,5-6,8H2,1-2H3,(H,17,20)
InChIKeyGGXKSMMSRQNKRI-UHFFFAOYSA-N
XLogP2.87
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-5-methylpiperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-5-methylpiperidin-2-one?
The IUPAC name of 5-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-5-methylpiperidin-2-one (CID 136546663) is 5-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-5-methylpiperidin-2-one.
What is the SMILES notation for 5-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-5-methylpiperidin-2-one?
The canonical SMILES for 5-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-5-methylpiperidin-2-one is Cc1ccc(-c2noc(C3(C)CCC(=O)NC3)n2)cc1Cl.
What is the InChIKey of 5-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-5-methylpiperidin-2-one?
The InChIKey is GGXKSMMSRQNKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-9-3-4-10(7-11(9)16)13-18-14(21-19-13)15(2)6-5-12(20)17-8-15/h3-4,7H,5-6,8H2,1-2H3,(H,17,20).
What are the key properties of 5-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-5-methylpiperidin-2-one?
5-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-5-methylpiperidin-2-one has a molecular weight of 305.77 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-5-methylpiperidin-2-one is sourced from PubChem (CID 136546663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).