N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-1-(4-fluorophenyl)methanesulfonamide

C18H17FN2O5S — CID 110402720

IUPACN-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-1-(4-fluorophenyl)methanesulfonamide
SMILESCOc1ccc(-c2cnoc2NS(=O)(=O)Cc2ccc(F)cc2)cc1OC
InChIInChI=1S/C18H17FN2O5S/c1-24-16-8-5-13(9-17(16)25-2)15-10-20-26-18(15)21-27(22,23)11-12-3-6-14(19)7-4-12/h3-10,21H,11H2,1-2H3
InChIKeyQBMXYSVRNXGPQW-UHFFFAOYSA-N
MW392.41 g/mol
LogP3.44
Rot. Bonds7

About N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-1-(4-fluorophenyl)methanesulfonamide

N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-1-(4-fluorophenyl)methanesulfonamide (PubChem CID 110402720) has the molecular formula C18H17FN2O5S and a molecular weight of 392.41 g/mol. Its IUPAC name is N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-1-(4-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-1-(4-fluorophenyl)methanesulfonamide
PubChem CID110402720
Molecular FormulaC18H17FN2O5S
Molecular Weight392.41 g/mol
Exact Mass392.08
IUPAC NameN-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-1-(4-fluorophenyl)methanesulfonamide
SMILESCOc1ccc(-c2cnoc2NS(=O)(=O)Cc2ccc(F)cc2)cc1OC
InChIInChI=1S/C18H17FN2O5S/c1-24-16-8-5-13(9-17(16)25-2)15-10-20-26-18(15)21-27(22,23)11-12-3-6-14(19)7-4-12/h3-10,21H,11H2,1-2H3
InChIKeyQBMXYSVRNXGPQW-UHFFFAOYSA-N
XLogP3.44
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-1-(4-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-1-(4-fluorophenyl)methanesulfonamide (CID 110402720) is N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-1-(4-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-1-(4-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-1-(4-fluorophenyl)methanesulfonamide is COc1ccc(-c2cnoc2NS(=O)(=O)Cc2ccc(F)cc2)cc1OC.
What is the InChIKey of N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-1-(4-fluorophenyl)methanesulfonamide?
The InChIKey is QBMXYSVRNXGPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O5S/c1-24-16-8-5-13(9-17(16)25-2)15-10-20-26-18(15)21-27(22,23)11-12-3-6-14(19)7-4-12/h3-10,21H,11H2,1-2H3.
What are the key properties of N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-1-(4-fluorophenyl)methanesulfonamide?
N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-1-(4-fluorophenyl)methanesulfonamide has a molecular weight of 392.41 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-1-(4-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 110402720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).