2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)-1,3-oxazol-5-amine

C22H16F2N2O4S — CID 18826852

IUPAC2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)-1,3-oxazol-5-amine
SMILESCOc1cccc(Nc2oc(-c3ccccc3F)nc2S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C22H16F2N2O4S/c1-29-16-6-4-5-15(13-16)25-21-22(31(27,28)17-11-9-14(23)10-12-17)26-20(30-21)18-7-2-3-8-19(18)24/h2-13,25H,1H3
InChIKeyRIWOXPBRNWLVGL-UHFFFAOYSA-N
MW442.44 g/mol
LogP5.20
Rot. Bonds6

About 2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)-1,3-oxazol-5-amine

2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)-1,3-oxazol-5-amine (PubChem CID 18826852) has the molecular formula C22H16F2N2O4S and a molecular weight of 442.44 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)-1,3-oxazol-5-amine
PubChem CID18826852
Molecular FormulaC22H16F2N2O4S
Molecular Weight442.44 g/mol
Exact Mass442.08
IUPAC Name2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)-1,3-oxazol-5-amine
SMILESCOc1cccc(Nc2oc(-c3ccccc3F)nc2S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C22H16F2N2O4S/c1-29-16-6-4-5-15(13-16)25-21-22(31(27,28)17-11-9-14(23)10-12-17)26-20(30-21)18-7-2-3-8-19(18)24/h2-13,25H,1H3
InChIKeyRIWOXPBRNWLVGL-UHFFFAOYSA-N
XLogP5.20
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.44
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)-1,3-oxazol-5-amine?
The IUPAC name of 2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)-1,3-oxazol-5-amine (CID 18826852) is 2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)-1,3-oxazol-5-amine.
What is the SMILES notation for 2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)-1,3-oxazol-5-amine?
The canonical SMILES for 2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)-1,3-oxazol-5-amine is COc1cccc(Nc2oc(-c3ccccc3F)nc2S(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)-1,3-oxazol-5-amine?
The InChIKey is RIWOXPBRNWLVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N2O4S/c1-29-16-6-4-5-15(13-16)25-21-22(31(27,28)17-11-9-14(23)10-12-17)26-20(30-21)18-7-2-3-8-19(18)24/h2-13,25H,1H3.
What are the key properties of 2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)-1,3-oxazol-5-amine?
2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)-1,3-oxazol-5-amine has a molecular weight of 442.44 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 18826852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).