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

C18H26ClN3O3 — CID 6603468

IUPAC5-methyl-3-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenoxy]methyl]-1,2-oxazole;hydrochloride
SMILESCc1cc(COc2ccccc2OCCN2CCN(C)CC2)no1.Cl
InChIInChI=1S/C18H25N3O3.ClH/c1-15-13-16(19-24-15)14-23-18-6-4-3-5-17(18)22-12-11-21-9-7-20(2)8-10-21;/h3-6,13H,7-12,14H2,1-2H3;1H
InChIKeyJASPQTITMLUUNR-UHFFFAOYSA-N
MW367.88 g/mol
LogP2.61
Rot. Bonds7

About 5-methyl-3-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenoxy]methyl]-1,2-oxazole;hydrochloride

5-methyl-3-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenoxy]methyl]-1,2-oxazole;hydrochloride (PubChem CID 6603468) has the molecular formula C18H26ClN3O3 and a molecular weight of 367.88 g/mol. Its IUPAC name is 5-methyl-3-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenoxy]methyl]-1,2-oxazole;hydrochloride.

Molecular Properties

Compound Name5-methyl-3-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenoxy]methyl]-1,2-oxazole;hydrochloride
PubChem CID6603468
Molecular FormulaC18H26ClN3O3
Molecular Weight367.88 g/mol
Exact Mass367.17
IUPAC Name5-methyl-3-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenoxy]methyl]-1,2-oxazole;hydrochloride
SMILESCc1cc(COc2ccccc2OCCN2CCN(C)CC2)no1.Cl
InChIInChI=1S/C18H25N3O3.ClH/c1-15-13-16(19-24-15)14-23-18-6-4-3-5-17(18)22-12-11-21-9-7-20(2)8-10-21;/h3-6,13H,7-12,14H2,1-2H3;1H
InChIKeyJASPQTITMLUUNR-UHFFFAOYSA-N
XLogP2.61
TPSA50.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenoxy]methyl]-1,2-oxazole;hydrochloride?
The IUPAC name of 5-methyl-3-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenoxy]methyl]-1,2-oxazole;hydrochloride (CID 6603468) is 5-methyl-3-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenoxy]methyl]-1,2-oxazole;hydrochloride.
What is the SMILES notation for 5-methyl-3-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenoxy]methyl]-1,2-oxazole;hydrochloride?
The canonical SMILES for 5-methyl-3-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenoxy]methyl]-1,2-oxazole;hydrochloride is Cc1cc(COc2ccccc2OCCN2CCN(C)CC2)no1.Cl.
What is the InChIKey of 5-methyl-3-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenoxy]methyl]-1,2-oxazole;hydrochloride?
The InChIKey is JASPQTITMLUUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3.ClH/c1-15-13-16(19-24-15)14-23-18-6-4-3-5-17(18)22-12-11-21-9-7-20(2)8-10-21;/h3-6,13H,7-12,14H2,1-2H3;1H.
What are the key properties of 5-methyl-3-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenoxy]methyl]-1,2-oxazole;hydrochloride?
5-methyl-3-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenoxy]methyl]-1,2-oxazole;hydrochloride has a molecular weight of 367.88 g/mol, XLogP of 2.61, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenoxy]methyl]-1,2-oxazole;hydrochloride is sourced from PubChem (CID 6603468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).