3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide

C12H14N2O3S — CID 6621829

IUPAC3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2c(C)noc2C)c1
InChIInChI=1S/C12H14N2O3S/c1-8-5-4-6-11(7-8)14-18(15,16)12-9(2)13-17-10(12)3/h4-7,14H,1-3H3
InChIKeyHLBRUTVBXGSMTG-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.40
Rot. Bonds3

About 3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide (PubChem CID 6621829) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide
PubChem CID6621829
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2c(C)noc2C)c1
InChIInChI=1S/C12H14N2O3S/c1-8-5-4-6-11(7-8)14-18(15,16)12-9(2)13-17-10(12)3/h4-7,14H,1-3H3
InChIKeyHLBRUTVBXGSMTG-UHFFFAOYSA-N
XLogP2.40
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-formylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 106913000
N-(3-ethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 47310519
3,5-dimethyl-N-(5-methyl-3-pyridinyl)-1,2-oxazole-4-sulfonamide
CID 110727384
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylphenyl)benzenesulfonamide
CID 53054425
3,5-dimethyl-N-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]-1,2-oxazole-4-sulfonamide
CID 110732544
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-ethylbenzamide
CID 9330058
3,5-dimethyl-N-[4-(4-methylanilino)phenyl]-1,2-oxazole-4-sulfonamide
CID 112986072
N-[3-(2-aminoethoxy)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 28755050
N-(1,3-dihydro-2-benzofuran-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 127714711
N-[4-(3-acetylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 112988188
N-(2-amino-4-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 43259158
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110669909

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide (CID 6621829) is 3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide is Cc1cccc(NS(=O)(=O)c2c(C)noc2C)c1.
What is the InChIKey of 3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide?
The InChIKey is HLBRUTVBXGSMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-8-5-4-6-11(7-8)14-18(15,16)12-9(2)13-17-10(12)3/h4-7,14H,1-3H3.
What are the key properties of 3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide has a molecular weight of 266.32 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 6621829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).