2-(4-ethoxyphenyl)-4-(4-methylphenyl)sulfonyl-N-phenyl-1,3-oxazol-5-amine

C24H22N2O4S — CID 18826150

IUPAC2-(4-ethoxyphenyl)-4-(4-methylphenyl)sulfonyl-N-phenyl-1,3-oxazol-5-amine
SMILESCCOc1ccc(-c2nc(S(=O)(=O)c3ccc(C)cc3)c(Nc3ccccc3)o2)cc1
InChIInChI=1S/C24H22N2O4S/c1-3-29-20-13-11-18(12-14-20)22-26-24(23(30-22)25-19-7-5-4-6-8-19)31(27,28)21-15-9-17(2)10-16-21/h4-16,25H,3H2,1-2H3
InChIKeyHBPMZFBCELNDSO-UHFFFAOYSA-N
MW434.52 g/mol
LogP5.63
Rot. Bonds7

About 2-(4-ethoxyphenyl)-4-(4-methylphenyl)sulfonyl-N-phenyl-1,3-oxazol-5-amine

2-(4-ethoxyphenyl)-4-(4-methylphenyl)sulfonyl-N-phenyl-1,3-oxazol-5-amine (PubChem CID 18826150) has the molecular formula C24H22N2O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-4-(4-methylphenyl)sulfonyl-N-phenyl-1,3-oxazol-5-amine.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-4-(4-methylphenyl)sulfonyl-N-phenyl-1,3-oxazol-5-amine
PubChem CID18826150
Molecular FormulaC24H22N2O4S
Molecular Weight434.52 g/mol
Exact Mass434.13
IUPAC Name2-(4-ethoxyphenyl)-4-(4-methylphenyl)sulfonyl-N-phenyl-1,3-oxazol-5-amine
SMILESCCOc1ccc(-c2nc(S(=O)(=O)c3ccc(C)cc3)c(Nc3ccccc3)o2)cc1
InChIInChI=1S/C24H22N2O4S/c1-3-29-20-13-11-18(12-14-20)22-26-24(23(30-22)25-19-7-5-4-6-8-19)31(27,28)21-15-9-17(2)10-16-21/h4-16,25H,3H2,1-2H3
InChIKeyHBPMZFBCELNDSO-UHFFFAOYSA-N
XLogP5.63
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.52
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-4-(4-methylphenyl)sulfonyl-N-phenyl-1,3-oxazol-5-amine?
The IUPAC name of 2-(4-ethoxyphenyl)-4-(4-methylphenyl)sulfonyl-N-phenyl-1,3-oxazol-5-amine (CID 18826150) is 2-(4-ethoxyphenyl)-4-(4-methylphenyl)sulfonyl-N-phenyl-1,3-oxazol-5-amine.
What is the SMILES notation for 2-(4-ethoxyphenyl)-4-(4-methylphenyl)sulfonyl-N-phenyl-1,3-oxazol-5-amine?
The canonical SMILES for 2-(4-ethoxyphenyl)-4-(4-methylphenyl)sulfonyl-N-phenyl-1,3-oxazol-5-amine is CCOc1ccc(-c2nc(S(=O)(=O)c3ccc(C)cc3)c(Nc3ccccc3)o2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-4-(4-methylphenyl)sulfonyl-N-phenyl-1,3-oxazol-5-amine?
The InChIKey is HBPMZFBCELNDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S/c1-3-29-20-13-11-18(12-14-20)22-26-24(23(30-22)25-19-7-5-4-6-8-19)31(27,28)21-15-9-17(2)10-16-21/h4-16,25H,3H2,1-2H3.
What are the key properties of 2-(4-ethoxyphenyl)-4-(4-methylphenyl)sulfonyl-N-phenyl-1,3-oxazol-5-amine?
2-(4-ethoxyphenyl)-4-(4-methylphenyl)sulfonyl-N-phenyl-1,3-oxazol-5-amine has a molecular weight of 434.52 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-4-(4-methylphenyl)sulfonyl-N-phenyl-1,3-oxazol-5-amine is sourced from PubChem (CID 18826150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).