4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfinamide;ethane

C14H20N2O2S — CID 144853226

IUPAC4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfinamide;ethane
SMILESCC.Cc1cc(-c2c(C)noc2C)ccc1S(N)=O
InChIInChI=1S/C12H14N2O2S.C2H6/c1-7-6-10(4-5-11(7)17(13)15)12-8(2)14-16-9(12)3;1-2/h4-6H,13H2,1-3H3;1-2H3
InChIKeyKTGUWNVPRVVNOZ-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.27
Rot. Bonds2

About 4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfinamide;ethane

4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfinamide;ethane (PubChem CID 144853226) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfinamide;ethane.

Molecular Properties

Compound Name4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfinamide;ethane
PubChem CID144853226
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfinamide;ethane
SMILESCC.Cc1cc(-c2c(C)noc2C)ccc1S(N)=O
InChIInChI=1S/C12H14N2O2S.C2H6/c1-7-6-10(4-5-11(7)17(13)15)12-8(2)14-16-9(12)3;1-2/h4-6H,13H2,1-3H3;1-2H3
InChIKeyKTGUWNVPRVVNOZ-UHFFFAOYSA-N
XLogP3.27
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;ethane
CID 142046789
5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenol
CID 53218794
4-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole
CID 90732795
4-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diol
CID 138961435
4-(3,4-dimethylphenyl)-5-methyl-1,2-oxazol-3-amine
CID 66201499
4-(3-chloro-4-ethylphenyl)-3,5-dimethyl-1,2-oxazole
CID 143541732
4-(3,5-dimethyl-1,2-oxazol-4-yl)phenol
CID 11651288
4-(3,5-dimethyl-1,2-oxazol-4-yl)benzaldehyde
CID 51063711
2-chloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid
CID 53225038
6-(3,5-dimethyl-1,2-oxazol-4-yl)isoquinolin-3-amine
CID 118980517
[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methanamine;hydrochloride
CID 155943661
4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylmorpholine
CID 53054322

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfinamide;ethane?
The IUPAC name of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfinamide;ethane (CID 144853226) is 4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfinamide;ethane.
What is the SMILES notation for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfinamide;ethane?
The canonical SMILES for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfinamide;ethane is CC.Cc1cc(-c2c(C)noc2C)ccc1S(N)=O.
What is the InChIKey of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfinamide;ethane?
The InChIKey is KTGUWNVPRVVNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S.C2H6/c1-7-6-10(4-5-11(7)17(13)15)12-8(2)14-16-9(12)3;1-2/h4-6H,13H2,1-3H3;1-2H3.
What are the key properties of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfinamide;ethane?
4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfinamide;ethane has a molecular weight of 280.39 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfinamide;ethane is sourced from PubChem (CID 144853226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).