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

C24H18F2N2O5S — CID 16649767

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccc2c(c1)OCCO2)c1nc(-c2ccc(F)cc2)oc1NCc1ccc(F)cc1
InChIInChI=1S/C24H18F2N2O5S/c25-17-5-1-15(2-6-17)14-27-23-24(28-22(33-23)16-3-7-18(26)8-4-16)34(29,30)19-9-10-20-21(13-19)32-12-11-31-20/h1-10,13,27H,11-12,14H2
InChIKeyDBKOIRYMPJJSAF-UHFFFAOYSA-N
MW484.48 g/mol
LogP4.84
Rot. Bonds6

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

4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1,3-oxazol-5-amine (PubChem CID 16649767) has the molecular formula C24H18F2N2O5S and a molecular weight of 484.48 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1,3-oxazol-5-amine
PubChem CID16649767
Molecular FormulaC24H18F2N2O5S
Molecular Weight484.48 g/mol
Exact Mass484.09
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccc2c(c1)OCCO2)c1nc(-c2ccc(F)cc2)oc1NCc1ccc(F)cc1
InChIInChI=1S/C24H18F2N2O5S/c25-17-5-1-15(2-6-17)14-27-23-24(28-22(33-23)16-3-7-18(26)8-4-16)34(29,30)19-9-10-20-21(13-19)32-12-11-31-20/h1-10,13,27H,11-12,14H2
InChIKeyDBKOIRYMPJJSAF-UHFFFAOYSA-N
XLogP4.84
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.48
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1,3-oxazol-5-amine?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1,3-oxazol-5-amine (CID 16649767) is 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1,3-oxazol-5-amine?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1,3-oxazol-5-amine is O=S(=O)(c1ccc2c(c1)OCCO2)c1nc(-c2ccc(F)cc2)oc1NCc1ccc(F)cc1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1,3-oxazol-5-amine?
The InChIKey is DBKOIRYMPJJSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N2O5S/c25-17-5-1-15(2-6-17)14-27-23-24(28-22(33-23)16-3-7-18(26)8-4-16)34(29,30)19-9-10-20-21(13-19)32-12-11-31-20/h1-10,13,27H,11-12,14H2.
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1,3-oxazol-5-amine?
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1,3-oxazol-5-amine has a molecular weight of 484.48 g/mol, XLogP of 4.84, 6 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-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1,3-oxazol-5-amine is sourced from PubChem (CID 16649767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).