2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole

C18H18ClN3OS — CID 120771142

IUPAC2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole
SMILESClc1cccc(C2CNCCN2Cc2ncc(-c3cccs3)o2)c1
InChIInChI=1S/C18H18ClN3OS/c19-14-4-1-3-13(9-14)15-10-20-6-7-22(15)12-18-21-11-16(23-18)17-5-2-8-24-17/h1-5,8-9,11,15,20H,6-7,10,12H2
InChIKeyUCQDASAZESIBHO-UHFFFAOYSA-N
MW359.88 g/mol
LogP4.20
Rot. Bonds4

About 2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole

2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole (PubChem CID 120771142) has the molecular formula C18H18ClN3OS and a molecular weight of 359.88 g/mol. Its IUPAC name is 2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole
PubChem CID120771142
Molecular FormulaC18H18ClN3OS
Molecular Weight359.88 g/mol
Exact Mass359.09
IUPAC Name2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole
SMILESClc1cccc(C2CNCCN2Cc2ncc(-c3cccs3)o2)c1
InChIInChI=1S/C18H18ClN3OS/c19-14-4-1-3-13(9-14)15-10-20-6-7-22(15)12-18-21-11-16(23-18)17-5-2-8-24-17/h1-5,8-9,11,15,20H,6-7,10,12H2
InChIKeyUCQDASAZESIBHO-UHFFFAOYSA-N
XLogP4.20
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 120770952
2-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole;dihydrochloride
CID 120757775
2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole
CID 120870637
2-(3-chlorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine
CID 120780051
4-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole;hydrochloride
CID 120780162
2-(3-chlorophenyl)-1-(pyridin-3-ylmethyl)piperazine
CID 120780257
2-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole;hydrochloride
CID 120756268
5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride
CID 120770738
2-(3-chlorophenyl)-1-prop-2-enylpiperazine
CID 120770958
2-(3-chlorophenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine
CID 120780185
2-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120780146
2-(3-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride
CID 120780214

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole?
The IUPAC name of 2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole (CID 120771142) is 2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole.
What is the SMILES notation for 2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole?
The canonical SMILES for 2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole is Clc1cccc(C2CNCCN2Cc2ncc(-c3cccs3)o2)c1.
What is the InChIKey of 2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole?
The InChIKey is UCQDASAZESIBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3OS/c19-14-4-1-3-13(9-14)15-10-20-6-7-22(15)12-18-21-11-16(23-18)17-5-2-8-24-17/h1-5,8-9,11,15,20H,6-7,10,12H2.
What are the key properties of 2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole?
2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole has a molecular weight of 359.88 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole is sourced from PubChem (CID 120771142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).