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

C14H18N2O3S — CID 7400945

IUPAC3,5-dimethyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C14H18N2O3S/c1-9(2)12-5-7-13(8-6-12)16-20(17,18)14-10(3)15-19-11(14)4/h5-9,16H,1-4H3
InChIKeyMBSGPAGUCVCSTO-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.22
Rot. Bonds4

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

3,5-dimethyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-sulfonamide (PubChem CID 7400945) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 3,5-dimethyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-sulfonamide
PubChem CID7400945
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name3,5-dimethyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C14H18N2O3S/c1-9(2)12-5-7-13(8-6-12)16-20(17,18)14-10(3)15-19-11(14)4/h5-9,16H,1-4H3
InChIKeyMBSGPAGUCVCSTO-UHFFFAOYSA-N
XLogP3.22
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-sulfonamide (CID 7400945) is 3,5-dimethyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 3,5-dimethyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-sulfonamide?
The InChIKey is MBSGPAGUCVCSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-9(2)12-5-7-13(8-6-12)16-20(17,18)14-10(3)15-19-11(14)4/h5-9,16H,1-4H3.
What are the key properties of 3,5-dimethyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-sulfonamide has a molecular weight of 294.38 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 7400945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).