4-(benzenesulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2-fluorophenyl)-1,3-oxazol-5-amine

C23H17FN2O5S — CID 18826754

IUPAC4-(benzenesulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2-fluorophenyl)-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccccc1)c1nc(-c2ccccc2F)oc1NCc1ccc2c(c1)OCO2
InChIInChI=1S/C23H17FN2O5S/c24-18-9-5-4-8-17(18)21-26-23(32(27,28)16-6-2-1-3-7-16)22(31-21)25-13-15-10-11-19-20(12-15)30-14-29-19/h1-12,25H,13-14H2
InChIKeyHBUYJSOVUNHRFK-UHFFFAOYSA-N
MW452.46 g/mol
LogP4.65
Rot. Bonds6

About 4-(benzenesulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2-fluorophenyl)-1,3-oxazol-5-amine

4-(benzenesulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2-fluorophenyl)-1,3-oxazol-5-amine (PubChem CID 18826754) has the molecular formula C23H17FN2O5S and a molecular weight of 452.46 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2-fluorophenyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2-fluorophenyl)-1,3-oxazol-5-amine
PubChem CID18826754
Molecular FormulaC23H17FN2O5S
Molecular Weight452.46 g/mol
Exact Mass452.08
IUPAC Name4-(benzenesulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2-fluorophenyl)-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccccc1)c1nc(-c2ccccc2F)oc1NCc1ccc2c(c1)OCO2
InChIInChI=1S/C23H17FN2O5S/c24-18-9-5-4-8-17(18)21-26-23(32(27,28)16-6-2-1-3-7-16)22(31-21)25-13-15-10-11-19-20(12-15)30-14-29-19/h1-12,25H,13-14H2
InChIKeyHBUYJSOVUNHRFK-UHFFFAOYSA-N
XLogP4.65
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(benzenesulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2-fluorophenyl)-1,3-oxazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(benzenesulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 18825520
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-(2-fluorophenyl)-N-(2-phenylethyl)-1,3-oxazol-5-amine
CID 16650344
4-(4-bromophenyl)sulfonyl-2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1,3-oxazol-5-amine
CID 18826933
4-(benzenesulfonyl)-2-(2-fluorophenyl)-N-phenyl-1,3-oxazol-5-amine
CID 18826756
2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine
CID 18826825
2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine
CID 18826829
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1,3-oxazol-5-amine
CID 16649767
2-(2-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine
CID 18826583
4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-oxazol-5-amine
CID 18826885
N-[(2-chlorophenyl)methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 16650224
N-butyl-4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-1,3-oxazol-5-amine
CID 18826859

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2-fluorophenyl)-1,3-oxazol-5-amine?
The IUPAC name of 4-(benzenesulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2-fluorophenyl)-1,3-oxazol-5-amine (CID 18826754) is 4-(benzenesulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2-fluorophenyl)-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(benzenesulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2-fluorophenyl)-1,3-oxazol-5-amine?
The canonical SMILES for 4-(benzenesulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2-fluorophenyl)-1,3-oxazol-5-amine is O=S(=O)(c1ccccc1)c1nc(-c2ccccc2F)oc1NCc1ccc2c(c1)OCO2.
What is the InChIKey of 4-(benzenesulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2-fluorophenyl)-1,3-oxazol-5-amine?
The InChIKey is HBUYJSOVUNHRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O5S/c24-18-9-5-4-8-17(18)21-26-23(32(27,28)16-6-2-1-3-7-16)22(31-21)25-13-15-10-11-19-20(12-15)30-14-29-19/h1-12,25H,13-14H2.
What are the key properties of 4-(benzenesulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2-fluorophenyl)-1,3-oxazol-5-amine?
4-(benzenesulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2-fluorophenyl)-1,3-oxazol-5-amine has a molecular weight of 452.46 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2-fluorophenyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 18826754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).