[3-(4-chlorophenyl)-1,2-oxazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride

C16H19Cl2N3O2 — CID 119491249

IUPAC[3-(4-chlorophenyl)-1,2-oxazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCCN(C(=O)c2conc2-c2ccc(Cl)cc2)C1.Cl
InChIInChI=1S/C16H18ClN3O2.ClH/c1-18-13-3-2-8-20(9-13)16(21)14-10-22-19-15(14)11-4-6-12(17)7-5-11;/h4-7,10,13,18H,2-3,8-9H2,1H3;1H
InChIKeyXFSBXBVRBLZXPW-UHFFFAOYSA-N
MW356.25 g/mol
LogP3.24
Rot. Bonds3

About [3-(4-chlorophenyl)-1,2-oxazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride

[3-(4-chlorophenyl)-1,2-oxazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119491249) has the molecular formula C16H19Cl2N3O2 and a molecular weight of 356.25 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-1,2-oxazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-1,2-oxazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
PubChem CID119491249
Molecular FormulaC16H19Cl2N3O2
Molecular Weight356.25 g/mol
Exact Mass355.09
IUPAC Name[3-(4-chlorophenyl)-1,2-oxazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCCN(C(=O)c2conc2-c2ccc(Cl)cc2)C1.Cl
InChIInChI=1S/C16H18ClN3O2.ClH/c1-18-13-3-2-8-20(9-13)16(21)14-10-22-19-15(14)11-4-6-12(17)7-5-11;/h4-7,10,13,18H,2-3,8-9H2,1H3;1H
InChIKeyXFSBXBVRBLZXPW-UHFFFAOYSA-N
XLogP3.24
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(4-chlorophenyl)-1,2-oxazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride with MolForge

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Related Compounds

[3-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 111477052
(3R)-1-[3-(4-chlorophenyl)-1,2-oxazole-4-carbonyl]piperidine-3-carboxylic acid
CID 129381228
[3-(3-hydroxypentan-3-yl)piperidin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-4-yl]methanone
CID 59170256
(4-chloro-2-methoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493215
[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119490627
[2-fluoro-4-(4-fluorophenyl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488820
(5-chlorofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492575
(3-chloro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 107098081
(2-chloro-4-iodophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119489697
(2,5-dichlorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413676
[5-chloro-2-(difluoromethoxy)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488965
(5-bromo-2-chlorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535972

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-1,2-oxazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of [3-(4-chlorophenyl)-1,2-oxazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride (CID 119491249) is [3-(4-chlorophenyl)-1,2-oxazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [3-(4-chlorophenyl)-1,2-oxazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for [3-(4-chlorophenyl)-1,2-oxazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride is CNC1CCCN(C(=O)c2conc2-c2ccc(Cl)cc2)C1.Cl.
What is the InChIKey of [3-(4-chlorophenyl)-1,2-oxazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is XFSBXBVRBLZXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2.ClH/c1-18-13-3-2-8-20(9-13)16(21)14-10-22-19-15(14)11-4-6-12(17)7-5-11;/h4-7,10,13,18H,2-3,8-9H2,1H3;1H.
What are the key properties of [3-(4-chlorophenyl)-1,2-oxazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
[3-(4-chlorophenyl)-1,2-oxazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 356.25 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-1,2-oxazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119491249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).