4-[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylmorpholine

C11H12N2O4S2 — CID 2739876

IUPAC4-[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(-c2ccon2)s1)N1CCOCC1
InChIInChI=1S/C11H12N2O4S2/c14-19(15,13-4-7-16-8-5-13)11-2-1-10(18-11)9-3-6-17-12-9/h1-3,6H,4-5,7-8H2
InChIKeySIZWOAIDGFRVJU-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.42
Rot. Bonds3

About 4-[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylmorpholine

4-[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylmorpholine (PubChem CID 2739876) has the molecular formula C11H12N2O4S2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylmorpholine
PubChem CID2739876
Molecular FormulaC11H12N2O4S2
Molecular Weight300.36 g/mol
Exact Mass300.02
IUPAC Name4-[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(-c2ccon2)s1)N1CCOCC1
InChIInChI=1S/C11H12N2O4S2/c14-19(15,13-4-7-16-8-5-13)11-2-1-10(18-11)9-3-6-17-12-9/h1-3,6H,4-5,7-8H2
InChIKeySIZWOAIDGFRVJU-UHFFFAOYSA-N
XLogP1.42
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylmorpholine?
The IUPAC name of 4-[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylmorpholine (CID 2739876) is 4-[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylmorpholine?
The canonical SMILES for 4-[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylmorpholine is O=S(=O)(c1ccc(-c2ccon2)s1)N1CCOCC1.
What is the InChIKey of 4-[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylmorpholine?
The InChIKey is SIZWOAIDGFRVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4S2/c14-19(15,13-4-7-16-8-5-13)11-2-1-10(18-11)9-3-6-17-12-9/h1-3,6H,4-5,7-8H2.
What are the key properties of 4-[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylmorpholine?
4-[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylmorpholine has a molecular weight of 300.36 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylmorpholine is sourced from PubChem (CID 2739876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).