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

C15H17Cl2N3O2 — CID 119578421

IUPAC[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1CN(C(=O)c2cc(-c3cccc(Cl)c3)no2)CCN1.Cl
InChIInChI=1S/C15H16ClN3O2.ClH/c1-10-9-19(6-5-17-10)15(20)14-8-13(18-21-14)11-3-2-4-12(16)7-11;/h2-4,7-8,10,17H,5-6,9H2,1H3;1H
InChIKeyYGNQKPLXBZTHJF-UHFFFAOYSA-N
MW342.23 g/mol
LogP2.85
Rot. Bonds2

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

[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 119578421) has the molecular formula C15H17Cl2N3O2 and a molecular weight of 342.23 g/mol. Its IUPAC name is [3-(3-chlorophenyl)-1,2-oxazol-5-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
PubChem CID119578421
Molecular FormulaC15H17Cl2N3O2
Molecular Weight342.23 g/mol
Exact Mass341.07
IUPAC Name[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1CN(C(=O)c2cc(-c3cccc(Cl)c3)no2)CCN1.Cl
InChIInChI=1S/C15H16ClN3O2.ClH/c1-10-9-19(6-5-17-10)15(20)14-8-13(18-21-14)11-3-2-4-12(16)7-11;/h2-4,7-8,10,17H,5-6,9H2,1H3;1H
InChIKeyYGNQKPLXBZTHJF-UHFFFAOYSA-N
XLogP2.85
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]pyrrolidine-3-carboxylic acid
CID 124703485
[3-(1-aminoethyl)piperidin-1-yl]-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methanone;hydrochloride
CID 119594663
[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119540304
(3S)-1-[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124695570
N-(2-aminoethyl)-1-[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide;hydrochloride
CID 119480725
[1-(3-chlorophenyl)pyrazol-4-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119579544
(3-methylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride
CID 119579801
(2,5-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone
CID 65419188
(2,6-dichlorophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426391
[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]-(3-methylpiperazin-1-yl)methanone
CID 119580992
(5-methyl-1,2-oxazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428158
(3-methylpiperazin-1-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone;dihydrochloride
CID 119580533

Frequently Asked Questions

What is the IUPAC name of [3-(3-chlorophenyl)-1,2-oxazol-5-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of [3-(3-chlorophenyl)-1,2-oxazol-5-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride (CID 119578421) is [3-(3-chlorophenyl)-1,2-oxazol-5-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [3-(3-chlorophenyl)-1,2-oxazol-5-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for [3-(3-chlorophenyl)-1,2-oxazol-5-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride is CC1CN(C(=O)c2cc(-c3cccc(Cl)c3)no2)CCN1.Cl.
What is the InChIKey of [3-(3-chlorophenyl)-1,2-oxazol-5-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is YGNQKPLXBZTHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2.ClH/c1-10-9-19(6-5-17-10)15(20)14-8-13(18-21-14)11-3-2-4-12(16)7-11;/h2-4,7-8,10,17H,5-6,9H2,1H3;1H.
What are the key properties of [3-(3-chlorophenyl)-1,2-oxazol-5-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride?
[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 342.23 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-chlorophenyl)-1,2-oxazol-5-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119578421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).