3,5-dimethyl-4-methylsulfinyl-1,2-oxazole

C6H9NO2S — CID 70320458

IUPAC3,5-dimethyl-4-methylsulfinyl-1,2-oxazole
SMILESCc1noc(C)c1S(C)=O
InChIInChI=1S/C6H9NO2S/c1-4-6(10(3)8)5(2)9-7-4/h1-3H3
InChIKeyBTWJCJQSMQOTNR-UHFFFAOYSA-N
MW159.21 g/mol
LogP1.03
Rot. Bonds1

About 3,5-dimethyl-4-methylsulfinyl-1,2-oxazole

3,5-dimethyl-4-methylsulfinyl-1,2-oxazole (PubChem CID 70320458) has the molecular formula C6H9NO2S and a molecular weight of 159.21 g/mol. Its IUPAC name is 3,5-dimethyl-4-methylsulfinyl-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-methylsulfinyl-1,2-oxazole
PubChem CID70320458
Molecular FormulaC6H9NO2S
Molecular Weight159.21 g/mol
Exact Mass159.04
IUPAC Name3,5-dimethyl-4-methylsulfinyl-1,2-oxazole
SMILESCc1noc(C)c1S(C)=O
InChIInChI=1S/C6H9NO2S/c1-4-6(10(3)8)5(2)9-7-4/h1-3H3
InChIKeyBTWJCJQSMQOTNR-UHFFFAOYSA-N
XLogP1.03
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

sodium 3,5-dimethyl-1,2-oxazole-4-sulfinate
CID 23697072
3,4,5-trimethyl-1,2-oxazole
CID 25375
methyl 3-amino-5-methyl-1,2-oxazole-4-sulfinate
CID 18741337
CID 58004744
CID 58004744
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]ethanamine
CID 58684565
4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfinamide;ethane
CID 144853226
3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;ethane
CID 142046789
3,5-dimethyl-1,2-oxazole-4-sulfonic acid;hydrochloride
CID 142193627
butane;ethane;3,4,5-trimethyl-1,2-oxazole
CID 142187309
(3,5-dimethyl-1,2-oxazol-4-yl)methanethiol
CID 2507881
3,5-dimethyl-4-[(Z)-prop-1-enyl]-1,2-oxazole
CID 147391521
4-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diol
CID 138961435

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-methylsulfinyl-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-methylsulfinyl-1,2-oxazole (CID 70320458) is 3,5-dimethyl-4-methylsulfinyl-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-methylsulfinyl-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-methylsulfinyl-1,2-oxazole is Cc1noc(C)c1S(C)=O.
What is the InChIKey of 3,5-dimethyl-4-methylsulfinyl-1,2-oxazole?
The InChIKey is BTWJCJQSMQOTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2S/c1-4-6(10(3)8)5(2)9-7-4/h1-3H3.
What are the key properties of 3,5-dimethyl-4-methylsulfinyl-1,2-oxazole?
3,5-dimethyl-4-methylsulfinyl-1,2-oxazole has a molecular weight of 159.21 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-methylsulfinyl-1,2-oxazole is sourced from PubChem (CID 70320458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).