N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-2-carboxamide;hydrochloride

C16H20ClN3O2 — CID 119337937

IUPACN-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-2-carboxamide;hydrochloride
SMILESCc1coc(-c2cccc(NC(=O)C3CCCCN3)c2)n1.Cl
InChIInChI=1S/C16H19N3O2.ClH/c1-11-10-21-16(18-11)12-5-4-6-13(9-12)19-15(20)14-7-2-3-8-17-14;/h4-6,9-10,14,17H,2-3,7-8H2,1H3,(H,19,20);1H
InChIKeyNXVKASZGTUQFKQ-UHFFFAOYSA-N
MW321.81 g/mol
LogP3.15
Rot. Bonds3

About N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-2-carboxamide;hydrochloride

N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119337937) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119337937
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC NameN-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-2-carboxamide;hydrochloride
SMILESCc1coc(-c2cccc(NC(=O)C3CCCCN3)c2)n1.Cl
InChIInChI=1S/C16H19N3O2.ClH/c1-11-10-21-16(18-11)12-5-4-6-13(9-12)19-15(20)14-7-2-3-8-17-14;/h4-6,9-10,14,17H,2-3,7-8H2,1H3,(H,19,20);1H
InChIKeyNXVKASZGTUQFKQ-UHFFFAOYSA-N
XLogP3.15
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-2-methyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-4-carboxamide
CID 120636893
(2R,3S)-2-methyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 120935775
N-[3-(2-methylpyrimidin-4-yl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119280479
N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119293654
3-amino-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119808886
N-(3-methylsulfanylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119262082
(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355
(2S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119270942
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119270940
(2R)-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119399855
N-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119281759
N-[3-(1H-pyrazol-5-yl)phenyl]azepane-2-carboxamide
CID 64563413

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-2-carboxamide;hydrochloride (CID 119337937) is N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-2-carboxamide;hydrochloride is Cc1coc(-c2cccc(NC(=O)C3CCCCN3)c2)n1.Cl.
What is the InChIKey of N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is NXVKASZGTUQFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2.ClH/c1-11-10-21-16(18-11)12-5-4-6-13(9-12)19-15(20)14-7-2-3-8-17-14;/h4-6,9-10,14,17H,2-3,7-8H2,1H3,(H,19,20);1H.
What are the key properties of N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-2-carboxamide;hydrochloride?
N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 321.81 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119337937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).