6-(2,3-dihydropyridin-4-yl)-2-(2-fluoro-4-methylsulfonylphenyl)-1,3-benzoxazole

C19H15FN2O3S — CID 141362028

IUPAC6-(2,3-dihydropyridin-4-yl)-2-(2-fluoro-4-methylsulfonylphenyl)-1,3-benzoxazole
SMILESCS(=O)(=O)c1ccc(-c2nc3ccc(C4=CC=NCC4)cc3o2)c(F)c1
InChIInChI=1S/C19H15FN2O3S/c1-26(23,24)14-3-4-15(16(20)11-14)19-22-17-5-2-13(10-18(17)25-19)12-6-8-21-9-7-12/h2-6,8,10-11H,7,9H2,1H3
InChIKeyIDTOZFRZGBWVRS-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.90
Rot. Bonds3

About 6-(2,3-dihydropyridin-4-yl)-2-(2-fluoro-4-methylsulfonylphenyl)-1,3-benzoxazole

6-(2,3-dihydropyridin-4-yl)-2-(2-fluoro-4-methylsulfonylphenyl)-1,3-benzoxazole (PubChem CID 141362028) has the molecular formula C19H15FN2O3S and a molecular weight of 370.41 g/mol. Its IUPAC name is 6-(2,3-dihydropyridin-4-yl)-2-(2-fluoro-4-methylsulfonylphenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name6-(2,3-dihydropyridin-4-yl)-2-(2-fluoro-4-methylsulfonylphenyl)-1,3-benzoxazole
PubChem CID141362028
Molecular FormulaC19H15FN2O3S
Molecular Weight370.41 g/mol
Exact Mass370.08
IUPAC Name6-(2,3-dihydropyridin-4-yl)-2-(2-fluoro-4-methylsulfonylphenyl)-1,3-benzoxazole
SMILESCS(=O)(=O)c1ccc(-c2nc3ccc(C4=CC=NCC4)cc3o2)c(F)c1
InChIInChI=1S/C19H15FN2O3S/c1-26(23,24)14-3-4-15(16(20)11-14)19-22-17-5-2-13(10-18(17)25-19)12-6-8-21-9-7-12/h2-6,8,10-11H,7,9H2,1H3
InChIKeyIDTOZFRZGBWVRS-UHFFFAOYSA-N
XLogP3.90
TPSA72.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydropyridin-4-yl)-2-(2-fluoro-4-methylsulfonylphenyl)-1,3-benzoxazole?
The IUPAC name of 6-(2,3-dihydropyridin-4-yl)-2-(2-fluoro-4-methylsulfonylphenyl)-1,3-benzoxazole (CID 141362028) is 6-(2,3-dihydropyridin-4-yl)-2-(2-fluoro-4-methylsulfonylphenyl)-1,3-benzoxazole.
What is the SMILES notation for 6-(2,3-dihydropyridin-4-yl)-2-(2-fluoro-4-methylsulfonylphenyl)-1,3-benzoxazole?
The canonical SMILES for 6-(2,3-dihydropyridin-4-yl)-2-(2-fluoro-4-methylsulfonylphenyl)-1,3-benzoxazole is CS(=O)(=O)c1ccc(-c2nc3ccc(C4=CC=NCC4)cc3o2)c(F)c1.
What is the InChIKey of 6-(2,3-dihydropyridin-4-yl)-2-(2-fluoro-4-methylsulfonylphenyl)-1,3-benzoxazole?
The InChIKey is IDTOZFRZGBWVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O3S/c1-26(23,24)14-3-4-15(16(20)11-14)19-22-17-5-2-13(10-18(17)25-19)12-6-8-21-9-7-12/h2-6,8,10-11H,7,9H2,1H3.
What are the key properties of 6-(2,3-dihydropyridin-4-yl)-2-(2-fluoro-4-methylsulfonylphenyl)-1,3-benzoxazole?
6-(2,3-dihydropyridin-4-yl)-2-(2-fluoro-4-methylsulfonylphenyl)-1,3-benzoxazole has a molecular weight of 370.41 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydropyridin-4-yl)-2-(2-fluoro-4-methylsulfonylphenyl)-1,3-benzoxazole is sourced from PubChem (CID 141362028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).