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

C11H12N2O3S2 — CID 21039664

IUPAC5-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole
SMILESO=S(=O)(c1ccc(-c2ccno2)s1)N1CCCC1
InChIInChI=1S/C11H12N2O3S2/c14-18(15,13-7-1-2-8-13)11-4-3-10(17-11)9-5-6-12-16-9/h3-6H,1-2,7-8H2
InChIKeyGUHWYZWNIMVZQV-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.19
Rot. Bonds3

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

5-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole (PubChem CID 21039664) has the molecular formula C11H12N2O3S2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole
PubChem CID21039664
Molecular FormulaC11H12N2O3S2
Molecular Weight284.36 g/mol
Exact Mass284.03
IUPAC Name5-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole
SMILESO=S(=O)(c1ccc(-c2ccno2)s1)N1CCCC1
InChIInChI=1S/C11H12N2O3S2/c14-18(15,13-7-1-2-8-13)11-4-3-10(17-11)9-5-6-12-16-9/h3-6H,1-2,7-8H2
InChIKeyGUHWYZWNIMVZQV-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

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Frequently Asked Questions

What is the IUPAC name of 5-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole?
The IUPAC name of 5-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole (CID 21039664) is 5-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole.
What is the SMILES notation for 5-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole?
The canonical SMILES for 5-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole is O=S(=O)(c1ccc(-c2ccno2)s1)N1CCCC1.
What is the InChIKey of 5-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole?
The InChIKey is GUHWYZWNIMVZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S2/c14-18(15,13-7-1-2-8-13)11-4-3-10(17-11)9-5-6-12-16-9/h3-6H,1-2,7-8H2.
What are the key properties of 5-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole?
5-(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 5-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole is sourced from PubChem (CID 21039664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).