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

C19H20Cl2N4O — CID 120754342

IUPAC2-(4-chlorophenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride
SMILESCl.Clc1ccc(-c2nc(CN3CCNCC3c3cccnc3)co2)cc1
InChIInChI=1S/C19H19ClN4O.ClH/c20-16-5-3-14(4-6-16)19-23-17(13-25-19)12-24-9-8-22-11-18(24)15-2-1-7-21-10-15;/h1-7,10,13,18,22H,8-9,11-12H2;1H
InChIKeySUJFPDBUQJXDAI-UHFFFAOYSA-N
MW391.30 g/mol
LogP3.96
Rot. Bonds4

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

2-(4-chlorophenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride (PubChem CID 120754342) has the molecular formula C19H20Cl2N4O and a molecular weight of 391.30 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride
PubChem CID120754342
Molecular FormulaC19H20Cl2N4O
Molecular Weight391.30 g/mol
Exact Mass390.10
IUPAC Name2-(4-chlorophenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride
SMILESCl.Clc1ccc(-c2nc(CN3CCNCC3c3cccnc3)co2)cc1
InChIInChI=1S/C19H19ClN4O.ClH/c20-16-5-3-14(4-6-16)19-23-17(13-25-19)12-24-9-8-22-11-18(24)15-2-1-7-21-10-15;/h1-7,10,13,18,22H,8-9,11-12H2;1H
InChIKeySUJFPDBUQJXDAI-UHFFFAOYSA-N
XLogP3.96
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride
CID 120755807
4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole
CID 120756729
3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2-oxazole;hydrochloride
CID 120755446
2-pyridin-3-yl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
CID 120768365
1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754578
1-[(2,5-dichlorophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120754425
2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
CID 120768078
4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]thiadiazole;hydrochloride
CID 120767683
1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768234
6-chloro-1-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]benzimidazole;hydrochloride
CID 120768325
1-[(3-chlorothiophen-2-yl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120846434
1-[(4-bromophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120755894

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride (CID 120754342) is 2-(4-chlorophenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride is Cl.Clc1ccc(-c2nc(CN3CCNCC3c3cccnc3)co2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride?
The InChIKey is SUJFPDBUQJXDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O.ClH/c20-16-5-3-14(4-6-16)19-23-17(13-25-19)12-24-9-8-22-11-18(24)15-2-1-7-21-10-15;/h1-7,10,13,18,22H,8-9,11-12H2;1H.
What are the key properties of 2-(4-chlorophenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride?
2-(4-chlorophenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride has a molecular weight of 391.30 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride is sourced from PubChem (CID 120754342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).