3-(2-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole

C14H17N3O — CID 43102485

IUPAC3-(2-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
SMILESCc1ccccc1-c1noc(C2CCCCN2)n1
InChIInChI=1S/C14H17N3O/c1-10-6-2-3-7-11(10)13-16-14(18-17-13)12-8-4-5-9-15-12/h2-3,6-7,12,15H,4-5,8-9H2,1H3
InChIKeyDXXIDAGRQWJUDE-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.86
Rot. Bonds2

About 3-(2-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole

3-(2-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole (PubChem CID 43102485) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(2-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
PubChem CID43102485
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-(2-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
SMILESCc1ccccc1-c1noc(C2CCCCN2)n1
InChIInChI=1S/C14H17N3O/c1-10-6-2-3-7-11(10)13-16-14(18-17-13)12-8-4-5-9-15-12/h2-3,6-7,12,15H,4-5,8-9H2,1H3
InChIKeyDXXIDAGRQWJUDE-UHFFFAOYSA-N
XLogP2.86
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxy-3-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 82626024
3-naphthalen-1-yl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 103832593
3-(4-fluoro-2-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 81274408
3-(2-methoxyphenyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 93093295
5-(azepan-2-yl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole
CID 113453222
3-(2-nitrophenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104914897
3-(4-bromo-2-methylphenyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 103083276
5-(azepan-2-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 64560736
3-(4-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride
CID 75526655
3-(3-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 43109257
3-(1-benzofuran-2-yl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 103832711
2,6-dimethyl-4-[5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenol
CID 136854683

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole (CID 43102485) is 3-(2-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole is Cc1ccccc1-c1noc(C2CCCCN2)n1.
What is the InChIKey of 3-(2-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole?
The InChIKey is DXXIDAGRQWJUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-6-2-3-7-11(10)13-16-14(18-17-13)12-8-4-5-9-15-12/h2-3,6-7,12,15H,4-5,8-9H2,1H3.
What are the key properties of 3-(2-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole?
3-(2-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole has a molecular weight of 243.31 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 43102485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).