1-(5-tert-butyl-1,2-oxazol-3-yl)-N-[2-(difluoromethoxy)phenyl]methanesulfonamide

C15H18F2N2O4S — CID 100726700

IUPAC1-(5-tert-butyl-1,2-oxazol-3-yl)-N-[2-(difluoromethoxy)phenyl]methanesulfonamide
SMILESCC(C)(C)c1cc(CS(=O)(=O)Nc2ccccc2OC(F)F)no1
InChIInChI=1S/C15H18F2N2O4S/c1-15(2,3)13-8-10(18-23-13)9-24(20,21)19-11-6-4-5-7-12(11)22-14(16)17/h4-8,14,19H,9H2,1-3H3
InChIKeyOBXLUQUTDUBTPN-UHFFFAOYSA-N
MW360.38 g/mol
LogP3.52
Rot. Bonds6

About 1-(5-tert-butyl-1,2-oxazol-3-yl)-N-[2-(difluoromethoxy)phenyl]methanesulfonamide

1-(5-tert-butyl-1,2-oxazol-3-yl)-N-[2-(difluoromethoxy)phenyl]methanesulfonamide (PubChem CID 100726700) has the molecular formula C15H18F2N2O4S and a molecular weight of 360.38 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-N-[2-(difluoromethoxy)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2-oxazol-3-yl)-N-[2-(difluoromethoxy)phenyl]methanesulfonamide
PubChem CID100726700
Molecular FormulaC15H18F2N2O4S
Molecular Weight360.38 g/mol
Exact Mass360.10
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)-N-[2-(difluoromethoxy)phenyl]methanesulfonamide
SMILESCC(C)(C)c1cc(CS(=O)(=O)Nc2ccccc2OC(F)F)no1
InChIInChI=1S/C15H18F2N2O4S/c1-15(2,3)13-8-10(18-23-13)9-24(20,21)19-11-6-4-5-7-12(11)22-14(16)17/h4-8,14,19H,9H2,1-3H3
InChIKeyOBXLUQUTDUBTPN-UHFFFAOYSA-N
XLogP3.52
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-N-[2-(difluoromethoxy)phenyl]methanesulfonamide?
The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-N-[2-(difluoromethoxy)phenyl]methanesulfonamide (CID 100726700) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-N-[2-(difluoromethoxy)phenyl]methanesulfonamide.
What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-N-[2-(difluoromethoxy)phenyl]methanesulfonamide?
The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-N-[2-(difluoromethoxy)phenyl]methanesulfonamide is CC(C)(C)c1cc(CS(=O)(=O)Nc2ccccc2OC(F)F)no1.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-N-[2-(difluoromethoxy)phenyl]methanesulfonamide?
The InChIKey is OBXLUQUTDUBTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O4S/c1-15(2,3)13-8-10(18-23-13)9-24(20,21)19-11-6-4-5-7-12(11)22-14(16)17/h4-8,14,19H,9H2,1-3H3.
What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-N-[2-(difluoromethoxy)phenyl]methanesulfonamide?
1-(5-tert-butyl-1,2-oxazol-3-yl)-N-[2-(difluoromethoxy)phenyl]methanesulfonamide has a molecular weight of 360.38 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,2-oxazol-3-yl)-N-[2-(difluoromethoxy)phenyl]methanesulfonamide is sourced from PubChem (CID 100726700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).