3-(4-methylphenyl)-N-piperidin-3-yl-1,2-oxazole-5-carboxamide

C16H19N3O2 — CID 119425159

IUPAC3-(4-methylphenyl)-N-piperidin-3-yl-1,2-oxazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC3CCCNC3)on2)cc1
InChIInChI=1S/C16H19N3O2/c1-11-4-6-12(7-5-11)14-9-15(21-19-14)16(20)18-13-3-2-8-17-10-13/h4-7,9,13,17H,2-3,8,10H2,1H3,(H,18,20)
InChIKeyATUOUOYPHLZEKG-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.13
Rot. Bonds3

About 3-(4-methylphenyl)-N-piperidin-3-yl-1,2-oxazole-5-carboxamide

3-(4-methylphenyl)-N-piperidin-3-yl-1,2-oxazole-5-carboxamide (PubChem CID 119425159) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-piperidin-3-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-piperidin-3-yl-1,2-oxazole-5-carboxamide
PubChem CID119425159
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-(4-methylphenyl)-N-piperidin-3-yl-1,2-oxazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC3CCCNC3)on2)cc1
InChIInChI=1S/C16H19N3O2/c1-11-4-6-12(7-5-11)14-9-15(21-19-14)16(20)18-13-3-2-8-17-10-13/h4-7,9,13,17H,2-3,8,10H2,1H3,(H,18,20)
InChIKeyATUOUOYPHLZEKG-UHFFFAOYSA-N
XLogP2.13
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 120555492
N-(4-methylcyclohexyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 46427023
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 51079604
5-methyl-N-piperidin-3-ylfuran-2-carboxamide
CID 43603726
3-(4-methylphenyl)-N-(1-propylsulfonylpiperidin-4-yl)-1,2-oxazole-5-carboxamide
CID 46480197
2-(4-methylphenyl)-N-[(3R)-piperidin-3-yl]acetamide
CID 113436646
N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 100845880
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 55786487
3-phenyl-N-(2-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119558710
3-(4-chlorophenyl)-N-piperidin-3-yl-1H-pyrazole-5-carboxamide
CID 119424765
2-(4-methylphenyl)-6-oxo-N-[(3S)-piperidin-3-yl]-1H-pyrimidine-5-carboxamide
CID 72898424
5-methyl-3-phenyl-N-piperidin-3-yl-1,2-oxazole-4-carboxamide
CID 119427087

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-piperidin-3-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-methylphenyl)-N-piperidin-3-yl-1,2-oxazole-5-carboxamide (CID 119425159) is 3-(4-methylphenyl)-N-piperidin-3-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-piperidin-3-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-methylphenyl)-N-piperidin-3-yl-1,2-oxazole-5-carboxamide is Cc1ccc(-c2cc(C(=O)NC3CCCNC3)on2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-piperidin-3-yl-1,2-oxazole-5-carboxamide?
The InChIKey is ATUOUOYPHLZEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-4-6-12(7-5-11)14-9-15(21-19-14)16(20)18-13-3-2-8-17-10-13/h4-7,9,13,17H,2-3,8,10H2,1H3,(H,18,20).
What are the key properties of 3-(4-methylphenyl)-N-piperidin-3-yl-1,2-oxazole-5-carboxamide?
3-(4-methylphenyl)-N-piperidin-3-yl-1,2-oxazole-5-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.13, 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-piperidin-3-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 119425159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).