3-phenyl-N-(2-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride

C17H22ClN3O2 — CID 119558710

IUPAC3-phenyl-N-(2-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCCNC1)c1cc(-c2ccccc2)no1
InChIInChI=1S/C17H21N3O2.ClH/c21-17(19-10-8-13-5-4-9-18-12-13)16-11-15(20-22-16)14-6-2-1-3-7-14;/h1-3,6-7,11,13,18H,4-5,8-10,12H2,(H,19,21);1H
InChIKeyWHKJYFDBLLTZHW-UHFFFAOYSA-N
MW335.83 g/mol
LogP2.88
Rot. Bonds5

About 3-phenyl-N-(2-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride

3-phenyl-N-(2-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride (PubChem CID 119558710) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.83 g/mol. Its IUPAC name is 3-phenyl-N-(2-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-phenyl-N-(2-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride
PubChem CID119558710
Molecular FormulaC17H22ClN3O2
Molecular Weight335.83 g/mol
Exact Mass335.14
IUPAC Name3-phenyl-N-(2-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCCNC1)c1cc(-c2ccccc2)no1
InChIInChI=1S/C17H21N3O2.ClH/c21-17(19-10-8-13-5-4-9-18-12-13)16-11-15(20-22-16)14-6-2-1-3-7-14;/h1-3,6-7,11,13,18H,4-5,8-10,12H2,(H,19,21);1H
InChIKeyWHKJYFDBLLTZHW-UHFFFAOYSA-N
XLogP2.88
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide
CID 119557122
N-(2-piperidin-3-ylethyl)-1,2-oxazole-3-carboxamide
CID 63627853
3-(4-methylphenyl)-N-piperidin-3-yl-1,2-oxazole-5-carboxamide
CID 119425159
3-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555518
4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554925
N-(2-piperidin-3-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide;dihydrochloride
CID 119557872
3-phenyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-5-carboxamide
CID 119393897
3-methyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119464222
N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]-2-phenylacetamide
CID 119555564
3-methyl-6-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119555650
N-(2-piperidin-3-ylethyl)-1H-indazole-3-carboxamide
CID 63629056
2,6-difluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554934

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(2-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride?
The IUPAC name of 3-phenyl-N-(2-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride (CID 119558710) is 3-phenyl-N-(2-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 3-phenyl-N-(2-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride?
The canonical SMILES for 3-phenyl-N-(2-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride is Cl.O=C(NCCC1CCCNC1)c1cc(-c2ccccc2)no1.
What is the InChIKey of 3-phenyl-N-(2-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride?
The InChIKey is WHKJYFDBLLTZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2.ClH/c21-17(19-10-8-13-5-4-9-18-12-13)16-11-15(20-22-16)14-6-2-1-3-7-14;/h1-3,6-7,11,13,18H,4-5,8-10,12H2,(H,19,21);1H.
What are the key properties of 3-phenyl-N-(2-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride?
3-phenyl-N-(2-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride has a molecular weight of 335.83 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(2-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119558710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).