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

C13H16N2O4S2 — CID 53004935

IUPAC4-[2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonylmorpholine
SMILESCc1sc(C)c(S(=O)(=O)N2CCOCC2)c1-c1ccno1
InChIInChI=1S/C13H16N2O4S2/c1-9-12(11-3-4-14-19-11)13(10(2)20-9)21(16,17)15-5-7-18-8-6-15/h3-4H,5-8H2,1-2H3
InChIKeyWOZKSEMSYBUHLP-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.04
Rot. Bonds3

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

4-[2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonylmorpholine (PubChem CID 53004935) has the molecular formula C13H16N2O4S2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-[2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonylmorpholine
PubChem CID53004935
Molecular FormulaC13H16N2O4S2
Molecular Weight328.42 g/mol
Exact Mass328.06
IUPAC Name4-[2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonylmorpholine
SMILESCc1sc(C)c(S(=O)(=O)N2CCOCC2)c1-c1ccno1
InChIInChI=1S/C13H16N2O4S2/c1-9-12(11-3-4-14-19-11)13(10(2)20-9)21(16,17)15-5-7-18-8-6-15/h3-4H,5-8H2,1-2H3
InChIKeyWOZKSEMSYBUHLP-UHFFFAOYSA-N
XLogP2.04
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonylmorpholine?
The IUPAC name of 4-[2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonylmorpholine (CID 53004935) is 4-[2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonylmorpholine?
The canonical SMILES for 4-[2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonylmorpholine is Cc1sc(C)c(S(=O)(=O)N2CCOCC2)c1-c1ccno1.
What is the InChIKey of 4-[2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonylmorpholine?
The InChIKey is WOZKSEMSYBUHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S2/c1-9-12(11-3-4-14-19-11)13(10(2)20-9)21(16,17)15-5-7-18-8-6-15/h3-4H,5-8H2,1-2H3.
What are the key properties of 4-[2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonylmorpholine?
4-[2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonylmorpholine has a molecular weight of 328.42 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonylmorpholine is sourced from PubChem (CID 53004935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).