[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-piperidin-1-ylmethanone

C21H21N3O2 — CID 3445328

IUPAC[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-piperidin-1-ylmethanone
SMILESCc1ccccc1-c1noc(-c2ccccc2C(=O)N2CCCCC2)n1
InChIInChI=1S/C21H21N3O2/c1-15-9-3-4-10-16(15)19-22-20(26-23-19)17-11-5-6-12-18(17)21(25)24-13-7-2-8-14-24/h3-6,9-12H,2,7-8,13-14H2,1H3
InChIKeyHQSIBUJQIFLNQG-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.34
Rot. Bonds3

About [2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-piperidin-1-ylmethanone

[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-piperidin-1-ylmethanone (PubChem CID 3445328) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is [2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-piperidin-1-ylmethanone
PubChem CID3445328
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-piperidin-1-ylmethanone
SMILESCc1ccccc1-c1noc(-c2ccccc2C(=O)N2CCCCC2)n1
InChIInChI=1S/C21H21N3O2/c1-15-9-3-4-10-16(15)19-22-20(26-23-19)17-11-5-6-12-18(17)21(25)24-13-7-2-8-14-24/h3-6,9-12H,2,7-8,13-14H2,1H3
InChIKeyHQSIBUJQIFLNQG-UHFFFAOYSA-N
XLogP4.34
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone
CID 1249644
2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 2480918
[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone
CID 4293558
pyrrolidin-1-yl-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanone
CID 5133126
N,N-dimethyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 3800118
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
N-ethyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 3348278
3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 3747520
(3-hydroxypiperidin-1-yl)-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 111462892
ethyl (3R)-1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzoyl]piperidine-3-carboxylate
CID 92887818
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 46288581
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[4-(piperidine-1-carbonyl)phenyl]thiourea
CID 100761853

Frequently Asked Questions

What is the IUPAC name of [2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-piperidin-1-ylmethanone (CID 3445328) is [2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-piperidin-1-ylmethanone is Cc1ccccc1-c1noc(-c2ccccc2C(=O)N2CCCCC2)n1.
What is the InChIKey of [2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-piperidin-1-ylmethanone?
The InChIKey is HQSIBUJQIFLNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-15-9-3-4-10-16(15)19-22-20(26-23-19)17-11-5-6-12-18(17)21(25)24-13-7-2-8-14-24/h3-6,9-12H,2,7-8,13-14H2,1H3.
What are the key properties of [2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-piperidin-1-ylmethanone?
[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-piperidin-1-ylmethanone has a molecular weight of 347.42 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 3445328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).