3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole

C11H12N2O3S2 — CID 2739875

IUPAC3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole
SMILESO=S(=O)(c1ccc(-c2ccon2)s1)N1CCCC1
InChIInChI=1S/C11H12N2O3S2/c14-18(15,13-6-1-2-7-13)11-4-3-10(17-11)9-5-8-16-12-9/h3-5,8H,1-2,6-7H2
InChIKeyPPHMQQMWBFSZPK-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.19
Rot. Bonds3

About 3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole

3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole (PubChem CID 2739875) has the molecular formula C11H12N2O3S2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole
PubChem CID2739875
Molecular FormulaC11H12N2O3S2
Molecular Weight284.36 g/mol
Exact Mass284.03
IUPAC Name3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole
SMILESO=S(=O)(c1ccc(-c2ccon2)s1)N1CCCC1
InChIInChI=1S/C11H12N2O3S2/c14-18(15,13-6-1-2-7-13)11-4-3-10(17-11)9-5-8-16-12-9/h3-5,8H,1-2,6-7H2
InChIKeyPPHMQQMWBFSZPK-UHFFFAOYSA-N
XLogP2.19
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole 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-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole?
The IUPAC name of 3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole (CID 2739875) is 3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole.
What is the SMILES notation for 3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole?
The canonical SMILES for 3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole is O=S(=O)(c1ccc(-c2ccon2)s1)N1CCCC1.
What is the InChIKey of 3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole?
The InChIKey is PPHMQQMWBFSZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S2/c14-18(15,13-6-1-2-7-13)11-4-3-10(17-11)9-5-8-16-12-9/h3-5,8H,1-2,6-7H2.
What are the key properties of 3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole?
3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole has a molecular weight of 284.36 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole is sourced from PubChem (CID 2739875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).