[3-(1-aminoethyl)piperidin-1-yl]-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methanone;hydrochloride

C17H21Cl2N3O2 — CID 119594663

IUPAC[3-(1-aminoethyl)piperidin-1-yl]-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methanone;hydrochloride
SMILESCC(N)C1CCCN(C(=O)c2cc(-c3cccc(Cl)c3)no2)C1.Cl
InChIInChI=1S/C17H20ClN3O2.ClH/c1-11(19)13-5-3-7-21(10-13)17(22)16-9-15(20-23-16)12-4-2-6-14(18)8-12;/h2,4,6,8-9,11,13H,3,5,7,10,19H2,1H3;1H
InChIKeyZHACPPHAVOJDJO-UHFFFAOYSA-N
MW370.28 g/mol
LogP3.62
Rot. Bonds3

About [3-(1-aminoethyl)piperidin-1-yl]-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methanone;hydrochloride

[3-(1-aminoethyl)piperidin-1-yl]-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methanone;hydrochloride (PubChem CID 119594663) has the molecular formula C17H21Cl2N3O2 and a molecular weight of 370.28 g/mol. Its IUPAC name is [3-(1-aminoethyl)piperidin-1-yl]-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[3-(1-aminoethyl)piperidin-1-yl]-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methanone;hydrochloride
PubChem CID119594663
Molecular FormulaC17H21Cl2N3O2
Molecular Weight370.28 g/mol
Exact Mass369.10
IUPAC Name[3-(1-aminoethyl)piperidin-1-yl]-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methanone;hydrochloride
SMILESCC(N)C1CCCN(C(=O)c2cc(-c3cccc(Cl)c3)no2)C1.Cl
InChIInChI=1S/C17H20ClN3O2.ClH/c1-11(19)13-5-3-7-21(10-13)17(22)16-9-15(20-23-16)12-4-2-6-14(18)8-12;/h2,4,6,8-9,11,13H,3,5,7,10,19H2,1H3;1H
InChIKeyZHACPPHAVOJDJO-UHFFFAOYSA-N
XLogP3.62
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(1-aminoethyl)piperidin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 119593498
N-(2-aminoethyl)-1-[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide;hydrochloride
CID 119480725
[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119578421
(3S)-1-[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]pyrrolidine-3-carboxylic acid
CID 124703485
[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119540304
[3-(1-aminoethyl)piperidin-1-yl]-(3-butan-2-yl-1,2-oxazol-5-yl)methanone
CID 154759823
[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 125147195
1-[3-(1-aminoethyl)piperidin-1-yl]-2-[(3-chlorophenyl)methylsulfanyl]ethanone;hydrochloride
CID 119593293
3-(3-chlorophenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-1,2-oxazole-5-carboxamide
CID 95348268
[3-(1-aminoethyl)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride
CID 119594677
[3-(1-aminoethyl)piperidin-1-yl]-[1-(3-chlorophenyl)cyclopentyl]methanone;hydrochloride
CID 119596142
[3-(1-aminoethyl)piperidin-1-yl]-[1-(3-chlorophenyl)-5-propyltriazol-4-yl]methanone;hydrochloride
CID 119594219

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methanone;hydrochloride?
The IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methanone;hydrochloride (CID 119594663) is [3-(1-aminoethyl)piperidin-1-yl]-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methanone;hydrochloride.
What is the SMILES notation for [3-(1-aminoethyl)piperidin-1-yl]-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methanone;hydrochloride?
The canonical SMILES for [3-(1-aminoethyl)piperidin-1-yl]-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methanone;hydrochloride is CC(N)C1CCCN(C(=O)c2cc(-c3cccc(Cl)c3)no2)C1.Cl.
What is the InChIKey of [3-(1-aminoethyl)piperidin-1-yl]-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methanone;hydrochloride?
The InChIKey is ZHACPPHAVOJDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2.ClH/c1-11(19)13-5-3-7-21(10-13)17(22)16-9-15(20-23-16)12-4-2-6-14(18)8-12;/h2,4,6,8-9,11,13H,3,5,7,10,19H2,1H3;1H.
What are the key properties of [3-(1-aminoethyl)piperidin-1-yl]-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methanone;hydrochloride?
[3-(1-aminoethyl)piperidin-1-yl]-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methanone;hydrochloride has a molecular weight of 370.28 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminoethyl)piperidin-1-yl]-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methanone;hydrochloride is sourced from PubChem (CID 119594663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).