3-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-1,2-oxazole-5-carboxamide;hydrochloride

C17H22ClN3O2 — CID 120555492

IUPAC3-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-1,2-oxazole-5-carboxamide;hydrochloride
SMILESCc1ccc(-c2cc(C(=O)NC3CCNCC3C)on2)cc1.Cl
InChIInChI=1S/C17H21N3O2.ClH/c1-11-3-5-13(6-4-11)15-9-16(22-20-15)17(21)19-14-7-8-18-10-12(14)2;/h3-6,9,12,14,18H,7-8,10H2,1-2H3,(H,19,21);1H
InChIKeyFRLDKZSTPQSYGW-UHFFFAOYSA-N
MW335.84 g/mol
LogP2.80
Rot. Bonds3

About 3-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-1,2-oxazole-5-carboxamide;hydrochloride

3-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-1,2-oxazole-5-carboxamide;hydrochloride (PubChem CID 120555492) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.84 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-1,2-oxazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-1,2-oxazole-5-carboxamide;hydrochloride
PubChem CID120555492
Molecular FormulaC17H22ClN3O2
Molecular Weight335.84 g/mol
Exact Mass335.14
IUPAC Name3-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-1,2-oxazole-5-carboxamide;hydrochloride
SMILESCc1ccc(-c2cc(C(=O)NC3CCNCC3C)on2)cc1.Cl
InChIInChI=1S/C17H21N3O2.ClH/c1-11-3-5-13(6-4-11)15-9-16(22-20-15)17(21)19-14-7-8-18-10-12(14)2;/h3-6,9,12,14,18H,7-8,10H2,1-2H3,(H,19,21);1H
InChIKeyFRLDKZSTPQSYGW-UHFFFAOYSA-N
XLogP2.80
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-1,2-oxazole-5-carboxamide;hydrochloride 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-(4-methylphenyl)-N-piperidin-3-yl-1,2-oxazole-5-carboxamide
CID 119425159
N-(4-methylcyclohexyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 46427023
N-(3-methylpiperidin-4-yl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide;dihydrochloride
CID 120556285
N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 100845880
4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557720
3-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 120554210
2-(4-methylbenzoyl)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120553364
5-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)furan-2-carboxamide
CID 120553771
3-fluoro-5-methyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120555221
N-(3-methylpiperidin-4-yl)-5-methylsulfanylfuran-2-carboxamide
CID 120557562
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone;hydrochloride
CID 120659268
4-bromo-2-methyl-N-(3-methylpiperidin-4-yl)benzamide
CID 120554553

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-1,2-oxazole-5-carboxamide;hydrochloride?
The IUPAC name of 3-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-1,2-oxazole-5-carboxamide;hydrochloride (CID 120555492) is 3-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-1,2-oxazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 3-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-1,2-oxazole-5-carboxamide;hydrochloride?
The canonical SMILES for 3-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-1,2-oxazole-5-carboxamide;hydrochloride is Cc1ccc(-c2cc(C(=O)NC3CCNCC3C)on2)cc1.Cl.
What is the InChIKey of 3-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-1,2-oxazole-5-carboxamide;hydrochloride?
The InChIKey is FRLDKZSTPQSYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2.ClH/c1-11-3-5-13(6-4-11)15-9-16(22-20-15)17(21)19-14-7-8-18-10-12(14)2;/h3-6,9,12,14,18H,7-8,10H2,1-2H3,(H,19,21);1H.
What are the key properties of 3-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-1,2-oxazole-5-carboxamide;hydrochloride?
3-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-1,2-oxazole-5-carboxamide;hydrochloride has a molecular weight of 335.84 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-1,2-oxazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 120555492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).