4-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol

C14H16ClN3O2 — CID 106950155

IUPAC4-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol
SMILESOC1(c2nc(Cc3ccccc3Cl)no2)CCNCC1
InChIInChI=1S/C14H16ClN3O2/c15-11-4-2-1-3-10(11)9-12-17-13(20-18-12)14(19)5-7-16-8-6-14/h1-4,16,19H,5-9H2
InChIKeyGLJURXLIZHYPJJ-UHFFFAOYSA-N
MW293.75 g/mol
LogP1.88
Rot. Bonds3

About 4-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol

4-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol (PubChem CID 106950155) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 4-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol
PubChem CID106950155
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name4-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol
SMILESOC1(c2nc(Cc3ccccc3Cl)no2)CCNCC1
InChIInChI=1S/C14H16ClN3O2/c15-11-4-2-1-3-10(11)9-12-17-13(20-18-12)14(19)5-7-16-8-6-14/h1-4,16,19H,5-9H2
InChIKeyGLJURXLIZHYPJJ-UHFFFAOYSA-N
XLogP1.88
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol with MolForge

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

Launch Full Analysis

Related Compounds

3-[(2-chlorophenyl)methyl]-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole
CID 120834343
1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine
CID 65465196
4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol
CID 106950055
3-[(2-chlorophenyl)methyl]-5-(1-methylsulfonylcyclobutyl)-1,2,4-oxadiazole
CID 131961736
4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol
CID 106950128
methyl 1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79733484
4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol
CID 106950309
3-[(2-methylphenyl)methyl]-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 63124252
3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743289
2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813444
1-[3-[(5-chloroquinolin-8-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 136572095
4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol
CID 106950174

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol?
The IUPAC name of 4-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol (CID 106950155) is 4-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol.
What is the SMILES notation for 4-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol?
The canonical SMILES for 4-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol is OC1(c2nc(Cc3ccccc3Cl)no2)CCNCC1.
What is the InChIKey of 4-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol?
The InChIKey is GLJURXLIZHYPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c15-11-4-2-1-3-10(11)9-12-17-13(20-18-12)14(19)5-7-16-8-6-14/h1-4,16,19H,5-9H2.
What are the key properties of 4-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol?
4-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol has a molecular weight of 293.75 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol is sourced from PubChem (CID 106950155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).