4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]morpholine

C9H14N2O4S — CID 2805725

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]morpholine
SMILESCc1noc(C)c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C9H14N2O4S/c1-7-9(8(2)15-10-7)16(12,13)11-3-5-14-6-4-11/h3-6H2,1-2H3
InChIKeyQEDQGOSXGCISPB-UHFFFAOYSA-N
MW246.29 g/mol
LogP0.31
Rot. Bonds2

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]morpholine

4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]morpholine (PubChem CID 2805725) has the molecular formula C9H14N2O4S and a molecular weight of 246.29 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]morpholine.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]morpholine
PubChem CID2805725
Molecular FormulaC9H14N2O4S
Molecular Weight246.29 g/mol
Exact Mass246.07
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]morpholine
SMILESCc1noc(C)c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C9H14N2O4S/c1-7-9(8(2)15-10-7)16(12,13)11-3-5-14-6-4-11/h3-6H2,1-2H3
InChIKeyQEDQGOSXGCISPB-UHFFFAOYSA-N
XLogP0.31
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]morpholine 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 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]morpholine?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]morpholine (CID 2805725) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]morpholine.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]morpholine?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]morpholine is Cc1noc(C)c1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]morpholine?
The InChIKey is QEDQGOSXGCISPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4S/c1-7-9(8(2)15-10-7)16(12,13)11-3-5-14-6-4-11/h3-6H2,1-2H3.
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]morpholine?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]morpholine has a molecular weight of 246.29 g/mol, XLogP of 0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]morpholine is sourced from PubChem (CID 2805725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).