2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone

C19H18ClN3O2S — CID 2203038

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone
SMILESO=C(CSc1nc2ccccc2o1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H18ClN3O2S/c20-14-5-7-15(8-6-14)22-9-11-23(12-10-22)18(24)13-26-19-21-16-3-1-2-4-17(16)25-19/h1-8H,9-13H2
InChIKeyWVAJAPBGFRSAFD-UHFFFAOYSA-N
MW387.89 g/mol
LogP3.92
Rot. Bonds4

About 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone

2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone (PubChem CID 2203038) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone
PubChem CID2203038
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone
SMILESO=C(CSc1nc2ccccc2o1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H18ClN3O2S/c20-14-5-7-15(8-6-14)22-9-11-23(12-10-22)18(24)13-26-19-21-16-3-1-2-4-17(16)25-19/h1-8H,9-13H2
InChIKeyWVAJAPBGFRSAFD-UHFFFAOYSA-N
XLogP3.92
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone (CID 2203038) is 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone is O=C(CSc1nc2ccccc2o1)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone?
The InChIKey is WVAJAPBGFRSAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c20-14-5-7-15(8-6-14)22-9-11-23(12-10-22)18(24)13-26-19-21-16-3-1-2-4-17(16)25-19/h1-8H,9-13H2.
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone?
2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone has a molecular weight of 387.89 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 2203038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).