3-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole

C17H18ClN3O2S — CID 8617759

IUPAC3-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole
SMILESClc1ccc(CN2CCN(Cc3cc(-c4ccco4)on3)CC2)s1
InChIInChI=1S/C17H18ClN3O2S/c18-17-4-3-14(24-17)12-21-7-5-20(6-8-21)11-13-10-16(23-19-13)15-2-1-9-22-15/h1-4,9-10H,5-8,11-12H2
InChIKeyGFFSJFLLQYQGOR-UHFFFAOYSA-N
MW363.87 g/mol
LogP3.97
Rot. Bonds5

About 3-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole

3-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole (PubChem CID 8617759) has the molecular formula C17H18ClN3O2S and a molecular weight of 363.87 g/mol. Its IUPAC name is 3-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole
PubChem CID8617759
Molecular FormulaC17H18ClN3O2S
Molecular Weight363.87 g/mol
Exact Mass363.08
IUPAC Name3-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole
SMILESClc1ccc(CN2CCN(Cc3cc(-c4ccco4)on3)CC2)s1
InChIInChI=1S/C17H18ClN3O2S/c18-17-4-3-14(24-17)12-21-7-5-20(6-8-21)11-13-10-16(23-19-13)15-2-1-9-22-15/h1-4,9-10H,5-8,11-12H2
InChIKeyGFFSJFLLQYQGOR-UHFFFAOYSA-N
XLogP3.97
TPSA45.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole?
The IUPAC name of 3-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole (CID 8617759) is 3-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole.
What is the SMILES notation for 3-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole?
The canonical SMILES for 3-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole is Clc1ccc(CN2CCN(Cc3cc(-c4ccco4)on3)CC2)s1.
What is the InChIKey of 3-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole?
The InChIKey is GFFSJFLLQYQGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2S/c18-17-4-3-14(24-17)12-21-7-5-20(6-8-21)11-13-10-16(23-19-13)15-2-1-9-22-15/h1-4,9-10H,5-8,11-12H2.
What are the key properties of 3-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole?
3-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole has a molecular weight of 363.87 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole is sourced from PubChem (CID 8617759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).