N-(3-cyanophenyl)-N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]methanesulfonamide

C18H14FN3O3S — CID 34062443

IUPACN-(3-cyanophenyl)-N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)N(Cc1coc(-c2cccc(F)c2)n1)c1cccc(C#N)c1
InChIInChI=1S/C18H14FN3O3S/c1-26(23,24)22(17-7-2-4-13(8-17)10-20)11-16-12-25-18(21-16)14-5-3-6-15(19)9-14/h2-9,12H,11H2,1H3
InChIKeyNKEJYEOSSFLVPB-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.32
Rot. Bonds5

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

N-(3-cyanophenyl)-N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]methanesulfonamide (PubChem CID 34062443) has the molecular formula C18H14FN3O3S and a molecular weight of 371.39 g/mol. Its IUPAC name is N-(3-cyanophenyl)-N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]methanesulfonamide
PubChem CID34062443
Molecular FormulaC18H14FN3O3S
Molecular Weight371.39 g/mol
Exact Mass371.07
IUPAC NameN-(3-cyanophenyl)-N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)N(Cc1coc(-c2cccc(F)c2)n1)c1cccc(C#N)c1
InChIInChI=1S/C18H14FN3O3S/c1-26(23,24)22(17-7-2-4-13(8-17)10-20)11-16-12-25-18(21-16)14-5-3-6-15(19)9-14/h2-9,12H,11H2,1H3
InChIKeyNKEJYEOSSFLVPB-UHFFFAOYSA-N
XLogP3.32
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]methanesulfonamide?
The IUPAC name of N-(3-cyanophenyl)-N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]methanesulfonamide (CID 34062443) is N-(3-cyanophenyl)-N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-(3-cyanophenyl)-N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]methanesulfonamide?
The canonical SMILES for N-(3-cyanophenyl)-N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]methanesulfonamide is CS(=O)(=O)N(Cc1coc(-c2cccc(F)c2)n1)c1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]methanesulfonamide?
The InChIKey is NKEJYEOSSFLVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O3S/c1-26(23,24)22(17-7-2-4-13(8-17)10-20)11-16-12-25-18(21-16)14-5-3-6-15(19)9-14/h2-9,12H,11H2,1H3.
What are the key properties of N-(3-cyanophenyl)-N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]methanesulfonamide?
N-(3-cyanophenyl)-N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]methanesulfonamide has a molecular weight of 371.39 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]methanesulfonamide is sourced from PubChem (CID 34062443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).