4-(4-methylphenyl)-5-piperidin-2-yl-1,2-oxazole

C15H18N2O — CID 115003868

IUPAC4-(4-methylphenyl)-5-piperidin-2-yl-1,2-oxazole
SMILESCc1ccc(-c2cnoc2C2CCCCN2)cc1
InChIInChI=1S/C15H18N2O/c1-11-5-7-12(8-6-11)13-10-17-18-15(13)14-4-2-3-9-16-14/h5-8,10,14,16H,2-4,9H2,1H3
InChIKeyDQNWKKWQTGCVHS-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.46
Rot. Bonds2

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

4-(4-methylphenyl)-5-piperidin-2-yl-1,2-oxazole (PubChem CID 115003868) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-(4-methylphenyl)-5-piperidin-2-yl-1,2-oxazole.

Molecular Properties

Compound Name4-(4-methylphenyl)-5-piperidin-2-yl-1,2-oxazole
PubChem CID115003868
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name4-(4-methylphenyl)-5-piperidin-2-yl-1,2-oxazole
SMILESCc1ccc(-c2cnoc2C2CCCCN2)cc1
InChIInChI=1S/C15H18N2O/c1-11-5-7-12(8-6-11)13-10-17-18-15(13)14-4-2-3-9-16-14/h5-8,10,14,16H,2-4,9H2,1H3
InChIKeyDQNWKKWQTGCVHS-UHFFFAOYSA-N
XLogP3.46
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-methylphenyl)-5-piperidin-2-yl-1,2-oxazole 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

4-(3-fluorophenyl)-5-pyrrolidin-2-yl-1,2-oxazole
CID 115038784
5-piperidin-2-yl-1,2-oxazol-4-amine
CID 115093519
(2R)-2-[4-(4-methylphenyl)phenyl]piperidine
CID 165347942
3-(4-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride
CID 75526655
5-(azepan-2-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 64560736
2-methyl-5,6-bis(4-methylphenyl)-3-piperidin-2-ylpyrazine
CID 69202900
(2R)-2-[4-(4-methylphenyl)phenyl]pyrrolidine
CID 66519668
3,4-dimethyl-5-piperidin-2-yl-1,2-oxazole
CID 83846534
5-pyrrolidin-2-yl-1,2-oxazole-4-carbaldehyde
CID 115093494
(2R)-2-(4-methylphenyl)pyrrolidine
CID 7047871
5-methyl-2-piperidin-2-ylpyrimidine
CID 63317257
4-(4-fluorophenyl)-5-(piperidin-2-ylmethyl)-1,2-oxazole
CID 115053954

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-5-piperidin-2-yl-1,2-oxazole?
The IUPAC name of 4-(4-methylphenyl)-5-piperidin-2-yl-1,2-oxazole (CID 115003868) is 4-(4-methylphenyl)-5-piperidin-2-yl-1,2-oxazole.
What is the SMILES notation for 4-(4-methylphenyl)-5-piperidin-2-yl-1,2-oxazole?
The canonical SMILES for 4-(4-methylphenyl)-5-piperidin-2-yl-1,2-oxazole is Cc1ccc(-c2cnoc2C2CCCCN2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-5-piperidin-2-yl-1,2-oxazole?
The InChIKey is DQNWKKWQTGCVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-5-7-12(8-6-11)13-10-17-18-15(13)14-4-2-3-9-16-14/h5-8,10,14,16H,2-4,9H2,1H3.
What are the key properties of 4-(4-methylphenyl)-5-piperidin-2-yl-1,2-oxazole?
4-(4-methylphenyl)-5-piperidin-2-yl-1,2-oxazole has a molecular weight of 242.32 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-5-piperidin-2-yl-1,2-oxazole is sourced from PubChem (CID 115003868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).