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

C11H13N3O3S — CID 110727384

IUPAC3,5-dimethyl-N-(5-methyl-3-pyridinyl)-1,2-oxazole-4-sulfonamide
SMILESCc1cncc(NS(=O)(=O)c2c(C)noc2C)c1
InChIInChI=1S/C11H13N3O3S/c1-7-4-10(6-12-5-7)14-18(15,16)11-8(2)13-17-9(11)3/h4-6,14H,1-3H3
InChIKeyHHUOAVUDJGYKDJ-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.80
Rot. Bonds3

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

3,5-dimethyl-N-(5-methyl-3-pyridinyl)-1,2-oxazole-4-sulfonamide (PubChem CID 110727384) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 3,5-dimethyl-N-(5-methyl-3-pyridinyl)-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(5-methyl-3-pyridinyl)-1,2-oxazole-4-sulfonamide
PubChem CID110727384
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name3,5-dimethyl-N-(5-methyl-3-pyridinyl)-1,2-oxazole-4-sulfonamide
SMILESCc1cncc(NS(=O)(=O)c2c(C)noc2C)c1
InChIInChI=1S/C11H13N3O3S/c1-7-4-10(6-12-5-7)14-18(15,16)11-8(2)13-17-9(11)3/h4-6,14H,1-3H3
InChIKeyHHUOAVUDJGYKDJ-UHFFFAOYSA-N
XLogP1.80
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide
CID 6621829
3,5-dimethyl-N-[4-(4-methylanilino)phenyl]-1,2-oxazole-4-sulfonamide
CID 112986072
4-(aminomethyl)-2,5-dimethyl-N-(5-methyl-3-pyridinyl)furan-3-sulfonamide
CID 106087975
3,5-dimethyl-N-(2,3,5,6-tetramethylphenyl)-1,2-oxazole-4-sulfonamide
CID 110776931
N-(6-chloropyrazin-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113456930
N-(6-chloro-3-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 25047869
3,5-dimethyl-N-[4-(propan-2-ylamino)phenyl]-1,2-oxazole-4-sulfonamide
CID 112979926
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110669909
N-[4-(1H-imidazol-5-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 84512965
N-(3-formylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 106913000
3,5-dimethyl-N-(6-methylsulfanyl-3-pyridinyl)-1,2-oxazole-4-sulfonamide
CID 71878682
N-(1,3-dihydro-2-benzofuran-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 127714711

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(5-methyl-3-pyridinyl)-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(5-methyl-3-pyridinyl)-1,2-oxazole-4-sulfonamide (CID 110727384) is 3,5-dimethyl-N-(5-methyl-3-pyridinyl)-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(5-methyl-3-pyridinyl)-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(5-methyl-3-pyridinyl)-1,2-oxazole-4-sulfonamide is Cc1cncc(NS(=O)(=O)c2c(C)noc2C)c1.
What is the InChIKey of 3,5-dimethyl-N-(5-methyl-3-pyridinyl)-1,2-oxazole-4-sulfonamide?
The InChIKey is HHUOAVUDJGYKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-7-4-10(6-12-5-7)14-18(15,16)11-8(2)13-17-9(11)3/h4-6,14H,1-3H3.
What are the key properties of 3,5-dimethyl-N-(5-methyl-3-pyridinyl)-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-(5-methyl-3-pyridinyl)-1,2-oxazole-4-sulfonamide has a molecular weight of 267.31 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(5-methyl-3-pyridinyl)-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 110727384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).