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

C21H15FN2O3S — CID 18826756

IUPAC4-(benzenesulfonyl)-2-(2-fluorophenyl)-N-phenyl-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccccc1)c1nc(-c2ccccc2F)oc1Nc1ccccc1
InChIInChI=1S/C21H15FN2O3S/c22-18-14-8-7-13-17(18)19-24-21(28(25,26)16-11-5-2-6-12-16)20(27-19)23-15-9-3-1-4-10-15/h1-14,23H
InChIKeyXXXLQOMLTZVQBP-UHFFFAOYSA-N
MW394.43 g/mol
LogP5.06
Rot. Bonds5

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

4-(benzenesulfonyl)-2-(2-fluorophenyl)-N-phenyl-1,3-oxazol-5-amine (PubChem CID 18826756) has the molecular formula C21H15FN2O3S and a molecular weight of 394.43 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-2-(2-fluorophenyl)-N-phenyl-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-2-(2-fluorophenyl)-N-phenyl-1,3-oxazol-5-amine
PubChem CID18826756
Molecular FormulaC21H15FN2O3S
Molecular Weight394.43 g/mol
Exact Mass394.08
IUPAC Name4-(benzenesulfonyl)-2-(2-fluorophenyl)-N-phenyl-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccccc1)c1nc(-c2ccccc2F)oc1Nc1ccccc1
InChIInChI=1S/C21H15FN2O3S/c22-18-14-8-7-13-17(18)19-24-21(28(25,26)16-11-5-2-6-12-16)20(27-19)23-15-9-3-1-4-10-15/h1-14,23H
InChIKeyXXXLQOMLTZVQBP-UHFFFAOYSA-N
XLogP5.06
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.43
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-2-(2-fluorophenyl)-N-phenyl-1,3-oxazol-5-amine?
The IUPAC name of 4-(benzenesulfonyl)-2-(2-fluorophenyl)-N-phenyl-1,3-oxazol-5-amine (CID 18826756) is 4-(benzenesulfonyl)-2-(2-fluorophenyl)-N-phenyl-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(benzenesulfonyl)-2-(2-fluorophenyl)-N-phenyl-1,3-oxazol-5-amine?
The canonical SMILES for 4-(benzenesulfonyl)-2-(2-fluorophenyl)-N-phenyl-1,3-oxazol-5-amine is O=S(=O)(c1ccccc1)c1nc(-c2ccccc2F)oc1Nc1ccccc1.
What is the InChIKey of 4-(benzenesulfonyl)-2-(2-fluorophenyl)-N-phenyl-1,3-oxazol-5-amine?
The InChIKey is XXXLQOMLTZVQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O3S/c22-18-14-8-7-13-17(18)19-24-21(28(25,26)16-11-5-2-6-12-16)20(27-19)23-15-9-3-1-4-10-15/h1-14,23H.
What are the key properties of 4-(benzenesulfonyl)-2-(2-fluorophenyl)-N-phenyl-1,3-oxazol-5-amine?
4-(benzenesulfonyl)-2-(2-fluorophenyl)-N-phenyl-1,3-oxazol-5-amine has a molecular weight of 394.43 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-2-(2-fluorophenyl)-N-phenyl-1,3-oxazol-5-amine is sourced from PubChem (CID 18826756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).