[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone

C17H13ClN2O5S — CID 90594863

IUPAC[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
SMILESO=C(c1cc(-c2ccco2)on1)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H13ClN2O5S/c18-11-3-5-12(6-4-11)26(22,23)13-9-20(10-13)17(21)14-8-16(25-19-14)15-2-1-7-24-15/h1-8,13H,9-10H2
InChIKeyJHYQWVQPSMRWQT-UHFFFAOYSA-N
MW392.82 g/mol
LogP2.89
Rot. Bonds4

About [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone

[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone (PubChem CID 90594863) has the molecular formula C17H13ClN2O5S and a molecular weight of 392.82 g/mol. Its IUPAC name is [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
PubChem CID90594863
Molecular FormulaC17H13ClN2O5S
Molecular Weight392.82 g/mol
Exact Mass392.02
IUPAC Name[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
SMILESO=C(c1cc(-c2ccco2)on1)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H13ClN2O5S/c18-11-3-5-12(6-4-11)26(22,23)13-9-20(10-13)17(21)14-8-16(25-19-14)15-2-1-7-24-15/h1-8,13H,9-10H2
InChIKeyJHYQWVQPSMRWQT-UHFFFAOYSA-N
XLogP2.89
TPSA93.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.82
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone 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 [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone (CID 90594863) is [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone is O=C(c1cc(-c2ccco2)on1)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone?
The InChIKey is JHYQWVQPSMRWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O5S/c18-11-3-5-12(6-4-11)26(22,23)13-9-20(10-13)17(21)14-8-16(25-19-14)15-2-1-7-24-15/h1-8,13H,9-10H2.
What are the key properties of [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone?
[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone has a molecular weight of 392.82 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 90594863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).