3,5-dimethyl-4-(1,3-oxazolidin-3-ylsulfonyl)-1,2-oxazole

C8H12N2O4S — CID 110740099

IUPAC3,5-dimethyl-4-(1,3-oxazolidin-3-ylsulfonyl)-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCOC1
InChIInChI=1S/C8H12N2O4S/c1-6-8(7(2)14-9-6)15(11,12)10-3-4-13-5-10/h3-5H2,1-2H3
InChIKeyJQCXPNRBEXXUTR-UHFFFAOYSA-N
MW232.26 g/mol
LogP0.27
Rot. Bonds2

About 3,5-dimethyl-4-(1,3-oxazolidin-3-ylsulfonyl)-1,2-oxazole

3,5-dimethyl-4-(1,3-oxazolidin-3-ylsulfonyl)-1,2-oxazole (PubChem CID 110740099) has the molecular formula C8H12N2O4S and a molecular weight of 232.26 g/mol. Its IUPAC name is 3,5-dimethyl-4-(1,3-oxazolidin-3-ylsulfonyl)-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-(1,3-oxazolidin-3-ylsulfonyl)-1,2-oxazole
PubChem CID110740099
Molecular FormulaC8H12N2O4S
Molecular Weight232.26 g/mol
Exact Mass232.05
IUPAC Name3,5-dimethyl-4-(1,3-oxazolidin-3-ylsulfonyl)-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCOC1
InChIInChI=1S/C8H12N2O4S/c1-6-8(7(2)14-9-6)15(11,12)10-3-4-13-5-10/h3-5H2,1-2H3
InChIKeyJQCXPNRBEXXUTR-UHFFFAOYSA-N
XLogP0.27
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3,5-dimethyl-4-(1,3-oxazolidin-3-ylsulfonyl)-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

Related Compounds

1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]ethanone
CID 3345472
4-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole
CID 11926625
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-amine
CID 65245066
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methanol
CID 39373161
4-[4-(benzenesulfonyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 26545041
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone
CID 63846405
3,5-dimethyl-4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]sulfonyl-1,2-oxazole
CID 75461225
4-[3-(chloromethyl)pyrrolidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 63401014
3,5-dimethyl-4-[(4-propan-2-yl-1,4-diazepan-1-yl)sulfonyl]-1,2-oxazole
CID 30038844
4-[4-(azetidin-3-yl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 66203511
4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 5013931
O-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methyl]hydroxylamine
CID 39392885

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(1,3-oxazolidin-3-ylsulfonyl)-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-(1,3-oxazolidin-3-ylsulfonyl)-1,2-oxazole (CID 110740099) is 3,5-dimethyl-4-(1,3-oxazolidin-3-ylsulfonyl)-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-(1,3-oxazolidin-3-ylsulfonyl)-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-(1,3-oxazolidin-3-ylsulfonyl)-1,2-oxazole is Cc1noc(C)c1S(=O)(=O)N1CCOC1.
What is the InChIKey of 3,5-dimethyl-4-(1,3-oxazolidin-3-ylsulfonyl)-1,2-oxazole?
The InChIKey is JQCXPNRBEXXUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4S/c1-6-8(7(2)14-9-6)15(11,12)10-3-4-13-5-10/h3-5H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-(1,3-oxazolidin-3-ylsulfonyl)-1,2-oxazole?
3,5-dimethyl-4-(1,3-oxazolidin-3-ylsulfonyl)-1,2-oxazole has a molecular weight of 232.26 g/mol, XLogP of 0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(1,3-oxazolidin-3-ylsulfonyl)-1,2-oxazole is sourced from PubChem (CID 110740099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).