2-(4-methoxyphenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride

C20H23ClN4O2 — CID 120755807

IUPAC2-(4-methoxyphenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride
SMILESCOc1ccc(-c2nc(CN3CCNCC3c3cccnc3)co2)cc1.Cl
InChIInChI=1S/C20H22N4O2.ClH/c1-25-18-6-4-15(5-7-18)20-23-17(14-26-20)13-24-10-9-22-12-19(24)16-3-2-8-21-11-16;/h2-8,11,14,19,22H,9-10,12-13H2,1H3;1H
InChIKeyQLXFLSNIUWTSTO-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.31
Rot. Bonds5

About 2-(4-methoxyphenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride

2-(4-methoxyphenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride (PubChem CID 120755807) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride
PubChem CID120755807
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC Name2-(4-methoxyphenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride
SMILESCOc1ccc(-c2nc(CN3CCNCC3c3cccnc3)co2)cc1.Cl
InChIInChI=1S/C20H22N4O2.ClH/c1-25-18-6-4-15(5-7-18)20-23-17(14-26-20)13-24-10-9-22-12-19(24)16-3-2-8-21-11-16;/h2-8,11,14,19,22H,9-10,12-13H2,1H3;1H
InChIKeyQLXFLSNIUWTSTO-UHFFFAOYSA-N
XLogP3.31
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride
CID 120754342
1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768234
4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole
CID 120756729
2-(4-ethoxyphenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole;dihydrochloride
CID 120754702
3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2-oxazole;hydrochloride
CID 120755446
5-methoxy-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]pyran-4-one
CID 120755423
2-pyridin-3-yl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
CID 120768365
2-(2-methoxyphenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 120754903
N-[(4-methoxyphenyl)carbamoyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755324
1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120767853
2-(4-fluorophenyl)-4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;hydrochloride
CID 120870762
1-[(2,6-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754734

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride?
The IUPAC name of 2-(4-methoxyphenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride (CID 120755807) is 2-(4-methoxyphenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride?
The canonical SMILES for 2-(4-methoxyphenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride is COc1ccc(-c2nc(CN3CCNCC3c3cccnc3)co2)cc1.Cl.
What is the InChIKey of 2-(4-methoxyphenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride?
The InChIKey is QLXFLSNIUWTSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2.ClH/c1-25-18-6-4-15(5-7-18)20-23-17(14-26-20)13-24-10-9-22-12-19(24)16-3-2-8-21-11-16;/h2-8,11,14,19,22H,9-10,12-13H2,1H3;1H.
What are the key properties of 2-(4-methoxyphenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride?
2-(4-methoxyphenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride has a molecular weight of 386.88 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride is sourced from PubChem (CID 120755807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).