N-[1-(4-methylphenoxy)propan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide

C14H18N2O4S — CID 71997696

IUPACN-[1-(4-methylphenoxy)propan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide
SMILESCc1ccc(OCC(C)NS(=O)(=O)Cc2ccon2)cc1
InChIInChI=1S/C14H18N2O4S/c1-11-3-5-14(6-4-11)19-9-12(2)16-21(17,18)10-13-7-8-20-15-13/h3-8,12,16H,9-10H2,1-2H3
InChIKeyNRZOONGUMXYOKP-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.87
Rot. Bonds7

About N-[1-(4-methylphenoxy)propan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide

N-[1-(4-methylphenoxy)propan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide (PubChem CID 71997696) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-[1-(4-methylphenoxy)propan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-methylphenoxy)propan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide
PubChem CID71997696
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC NameN-[1-(4-methylphenoxy)propan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide
SMILESCc1ccc(OCC(C)NS(=O)(=O)Cc2ccon2)cc1
InChIInChI=1S/C14H18N2O4S/c1-11-3-5-14(6-4-11)19-9-12(2)16-21(17,18)10-13-7-8-20-15-13/h3-8,12,16H,9-10H2,1-2H3
InChIKeyNRZOONGUMXYOKP-UHFFFAOYSA-N
XLogP1.87
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenoxy)propan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
The IUPAC name of N-[1-(4-methylphenoxy)propan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide (CID 71997696) is N-[1-(4-methylphenoxy)propan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-[1-(4-methylphenoxy)propan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
The canonical SMILES for N-[1-(4-methylphenoxy)propan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide is Cc1ccc(OCC(C)NS(=O)(=O)Cc2ccon2)cc1.
What is the InChIKey of N-[1-(4-methylphenoxy)propan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
The InChIKey is NRZOONGUMXYOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-11-3-5-14(6-4-11)19-9-12(2)16-21(17,18)10-13-7-8-20-15-13/h3-8,12,16H,9-10H2,1-2H3.
What are the key properties of N-[1-(4-methylphenoxy)propan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
N-[1-(4-methylphenoxy)propan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide has a molecular weight of 310.38 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenoxy)propan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 71997696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).