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

C23H19FN2O4S — CID 18825777

IUPAC4-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2-(4-fluorophenyl)-1,3-oxazol-5-amine
SMILESCCOc1ccc(Nc2oc(-c3ccc(F)cc3)nc2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H19FN2O4S/c1-2-29-19-14-12-18(13-15-19)25-22-23(31(27,28)20-6-4-3-5-7-20)26-21(30-22)16-8-10-17(24)11-9-16/h3-15,25H,2H2,1H3
InChIKeyPCRCIBKIKMTGKZ-UHFFFAOYSA-N
MW438.48 g/mol
LogP5.46
Rot. Bonds7

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

4-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2-(4-fluorophenyl)-1,3-oxazol-5-amine (PubChem CID 18825777) has the molecular formula C23H19FN2O4S and a molecular weight of 438.48 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2-(4-fluorophenyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2-(4-fluorophenyl)-1,3-oxazol-5-amine
PubChem CID18825777
Molecular FormulaC23H19FN2O4S
Molecular Weight438.48 g/mol
Exact Mass438.10
IUPAC Name4-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2-(4-fluorophenyl)-1,3-oxazol-5-amine
SMILESCCOc1ccc(Nc2oc(-c3ccc(F)cc3)nc2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H19FN2O4S/c1-2-29-19-14-12-18(13-15-19)25-22-23(31(27,28)20-6-4-3-5-7-20)26-21(30-22)16-8-10-17(24)11-9-16/h3-15,25H,2H2,1H3
InChIKeyPCRCIBKIKMTGKZ-UHFFFAOYSA-N
XLogP5.46
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.48
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-bromophenyl)-N-(4-ethoxyphenyl)-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-amine
CID 18825942
4-(benzenesulfonyl)-N-(4-fluorophenyl)-2-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18826989
2-(4-ethoxyphenyl)-4-(4-methylphenyl)sulfonyl-N-phenyl-1,3-oxazol-5-amine
CID 18826150
4-(4-fluorophenyl)sulfonyl-N,2-diphenyl-1,3-oxazol-5-amine
CID 18825550
2-(4-ethoxyphenyl)-4-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine
CID 18826177
4-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18825609
4-(4-bromophenyl)sulfonyl-N-(4-ethoxyphenyl)-2-(2-fluorophenyl)-1,3-oxazol-5-amine
CID 18826949
4-(benzenesulfonyl)-2-(4-ethoxyphenyl)-N-prop-2-enyl-1,3-oxazol-5-amine
CID 18826076
4-(benzenesulfonyl)-N-cyclohexyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-amine
CID 18826075
N-(4-chlorophenyl)-2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18825657
N-(4-ethoxyphenyl)-2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18826375
4-(benzenesulfonyl)-2-(4-fluorophenyl)-N-(2-methoxyethyl)-1,3-oxazol-5-amine
CID 18825123

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2-(4-fluorophenyl)-1,3-oxazol-5-amine?
The IUPAC name of 4-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2-(4-fluorophenyl)-1,3-oxazol-5-amine (CID 18825777) is 4-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2-(4-fluorophenyl)-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2-(4-fluorophenyl)-1,3-oxazol-5-amine?
The canonical SMILES for 4-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2-(4-fluorophenyl)-1,3-oxazol-5-amine is CCOc1ccc(Nc2oc(-c3ccc(F)cc3)nc2S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2-(4-fluorophenyl)-1,3-oxazol-5-amine?
The InChIKey is PCRCIBKIKMTGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O4S/c1-2-29-19-14-12-18(13-15-19)25-22-23(31(27,28)20-6-4-3-5-7-20)26-21(30-22)16-8-10-17(24)11-9-16/h3-15,25H,2H2,1H3.
What are the key properties of 4-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2-(4-fluorophenyl)-1,3-oxazol-5-amine?
4-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2-(4-fluorophenyl)-1,3-oxazol-5-amine has a molecular weight of 438.48 g/mol, XLogP of 5.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2-(4-fluorophenyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 18825777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).