2-(4-chlorophenyl)-4-[(3-methylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride

C15H19Cl2N3O — CID 119924520

IUPAC2-(4-chlorophenyl)-4-[(3-methylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride
SMILESCC1CN(Cc2coc(-c3ccc(Cl)cc3)n2)CCN1.Cl
InChIInChI=1S/C15H18ClN3O.ClH/c1-11-8-19(7-6-17-11)9-14-10-20-15(18-14)12-2-4-13(16)5-3-12;/h2-5,10-11,17H,6-9H2,1H3;1H
InChIKeyPDFXCSWURBMKLI-UHFFFAOYSA-N
MW328.24 g/mol
LogP3.21
Rot. Bonds3

About 2-(4-chlorophenyl)-4-[(3-methylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride

2-(4-chlorophenyl)-4-[(3-methylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride (PubChem CID 119924520) has the molecular formula C15H19Cl2N3O and a molecular weight of 328.24 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[(3-methylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-[(3-methylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride
PubChem CID119924520
Molecular FormulaC15H19Cl2N3O
Molecular Weight328.24 g/mol
Exact Mass327.09
IUPAC Name2-(4-chlorophenyl)-4-[(3-methylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride
SMILESCC1CN(Cc2coc(-c3ccc(Cl)cc3)n2)CCN1.Cl
InChIInChI=1S/C15H18ClN3O.ClH/c1-11-8-19(7-6-17-11)9-14-10-20-15(18-14)12-2-4-13(16)5-3-12;/h2-5,10-11,17H,6-9H2,1H3;1H
InChIKeyPDFXCSWURBMKLI-UHFFFAOYSA-N
XLogP3.21
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenyl)-4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-oxazole
CID 104976745
1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3,4-diol
CID 106672993
2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 124697594
1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxylic acid
CID 63031516
1-[1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-N-methylmethanamine
CID 119914648
2-(4-chlorophenyl)-4-[(4-cyclohexylpiperazin-1-yl)methyl]-1,3-oxazole
CID 73387385
3-chloro-6-[[(3S)-3-methylpiperazin-1-yl]methyl]pyridazine
CID 97163264
1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-4-ol
CID 114681165
2-(4-chlorophenyl)-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 51104412
(3S)-1-[(6-chloro-2-pyridinyl)methyl]-3-methylpiperazine
CID 104976962
4-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3-oxazole;hydrochloride
CID 131160294
2-chloro-4-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrimidine
CID 97163267

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-[(3-methylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-4-[(3-methylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride (CID 119924520) is 2-(4-chlorophenyl)-4-[(3-methylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-4-[(3-methylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-4-[(3-methylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride is CC1CN(Cc2coc(-c3ccc(Cl)cc3)n2)CCN1.Cl.
What is the InChIKey of 2-(4-chlorophenyl)-4-[(3-methylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride?
The InChIKey is PDFXCSWURBMKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O.ClH/c1-11-8-19(7-6-17-11)9-14-10-20-15(18-14)12-2-4-13(16)5-3-12;/h2-5,10-11,17H,6-9H2,1H3;1H.
What are the key properties of 2-(4-chlorophenyl)-4-[(3-methylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride?
2-(4-chlorophenyl)-4-[(3-methylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride has a molecular weight of 328.24 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-[(3-methylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride is sourced from PubChem (CID 119924520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).