4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-fluorophenyl)-N-(2-phenylethyl)-1,3-oxazol-5-amine

C25H21FN2O5S — CID 16650344

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-fluorophenyl)-N-(2-phenylethyl)-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccc2c(c1)OCCO2)c1nc(-c2ccccc2F)oc1NCCc1ccccc1
InChIInChI=1S/C25H21FN2O5S/c26-20-9-5-4-8-19(20)23-28-25(24(33-23)27-13-12-17-6-2-1-3-7-17)34(29,30)18-10-11-21-22(16-18)32-15-14-31-21/h1-11,16,27H,12-15H2
InChIKeyYMWOKOLSYLCJSV-UHFFFAOYSA-N
MW480.52 g/mol
LogP4.74
Rot. Bonds7

About 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-fluorophenyl)-N-(2-phenylethyl)-1,3-oxazol-5-amine

4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-fluorophenyl)-N-(2-phenylethyl)-1,3-oxazol-5-amine (PubChem CID 16650344) has the molecular formula C25H21FN2O5S and a molecular weight of 480.52 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-fluorophenyl)-N-(2-phenylethyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-fluorophenyl)-N-(2-phenylethyl)-1,3-oxazol-5-amine
PubChem CID16650344
Molecular FormulaC25H21FN2O5S
Molecular Weight480.52 g/mol
Exact Mass480.12
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-fluorophenyl)-N-(2-phenylethyl)-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccc2c(c1)OCCO2)c1nc(-c2ccccc2F)oc1NCCc1ccccc1
InChIInChI=1S/C25H21FN2O5S/c26-20-9-5-4-8-19(20)23-28-25(24(33-23)27-13-12-17-6-2-1-3-7-17)34(29,30)18-10-11-21-22(16-18)32-15-14-31-21/h1-11,16,27H,12-15H2
InChIKeyYMWOKOLSYLCJSV-UHFFFAOYSA-N
XLogP4.74
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-phenyl-N-(2-phenylethyl)-1,3-oxazol-5-amine
CID 16649603
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-fluorophenyl)-N-methyl-1,3-oxazol-5-amine
CID 16650322
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[2-(4-methoxyphenyl)ethyl]-2-phenyl-1,3-oxazol-5-amine
CID 16649604
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-oxazol-5-amine
CID 16649775
4-(benzenesulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2-fluorophenyl)-1,3-oxazol-5-amine
CID 18826754
N-[2-(2-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,3-oxazol-5-yl]-N',N'-dimethylethane-1,2-diamine
CID 16650298
4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-oxazol-5-amine
CID 18826885
N-benzyl-2-(2-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18890234
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1,3-oxazol-5-amine
CID 16649767
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(3-ethoxypropyl)-2-phenyl-1,3-oxazol-5-amine
CID 16649622
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-fluorophenyl)-N-(2-methoxyethyl)-1,3-oxazol-5-amine
CID 16649782
N-[(2-chlorophenyl)methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 16650224

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-fluorophenyl)-N-(2-phenylethyl)-1,3-oxazol-5-amine?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-fluorophenyl)-N-(2-phenylethyl)-1,3-oxazol-5-amine (CID 16650344) is 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-fluorophenyl)-N-(2-phenylethyl)-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-fluorophenyl)-N-(2-phenylethyl)-1,3-oxazol-5-amine?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-fluorophenyl)-N-(2-phenylethyl)-1,3-oxazol-5-amine is O=S(=O)(c1ccc2c(c1)OCCO2)c1nc(-c2ccccc2F)oc1NCCc1ccccc1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-fluorophenyl)-N-(2-phenylethyl)-1,3-oxazol-5-amine?
The InChIKey is YMWOKOLSYLCJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O5S/c26-20-9-5-4-8-19(20)23-28-25(24(33-23)27-13-12-17-6-2-1-3-7-17)34(29,30)18-10-11-21-22(16-18)32-15-14-31-21/h1-11,16,27H,12-15H2.
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-fluorophenyl)-N-(2-phenylethyl)-1,3-oxazol-5-amine?
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-fluorophenyl)-N-(2-phenylethyl)-1,3-oxazol-5-amine has a molecular weight of 480.52 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-fluorophenyl)-N-(2-phenylethyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 16650344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).