N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2-methylbenzenesulfonamide

C14H18N2O3S — CID 110718865

IUPACN-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2-methylbenzenesulfonamide
SMILESCc1nc(C)c(CCNS(=O)(=O)c2ccccc2C)o1
InChIInChI=1S/C14H18N2O3S/c1-10-6-4-5-7-14(10)20(17,18)15-9-8-13-11(2)16-12(3)19-13/h4-7,15H,8-9H2,1-3H3
InChIKeyRFVHOCRRCABHBQ-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.12
Rot. Bonds5

About N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2-methylbenzenesulfonamide

N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2-methylbenzenesulfonamide (PubChem CID 110718865) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2-methylbenzenesulfonamide
PubChem CID110718865
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2-methylbenzenesulfonamide
SMILESCc1nc(C)c(CCNS(=O)(=O)c2ccccc2C)o1
InChIInChI=1S/C14H18N2O3S/c1-10-6-4-5-7-14(10)20(17,18)15-9-8-13-11(2)16-12(3)19-13/h4-7,15H,8-9H2,1-3H3
InChIKeyRFVHOCRRCABHBQ-UHFFFAOYSA-N
XLogP2.12
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2-methylbenzenesulfonamide (CID 110718865) is N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2-methylbenzenesulfonamide is Cc1nc(C)c(CCNS(=O)(=O)c2ccccc2C)o1.
What is the InChIKey of N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2-methylbenzenesulfonamide?
The InChIKey is RFVHOCRRCABHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-10-6-4-5-7-14(10)20(17,18)15-9-8-13-11(2)16-12(3)19-13/h4-7,15H,8-9H2,1-3H3.
What are the key properties of N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2-methylbenzenesulfonamide?
N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2-methylbenzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 110718865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).