N-benzyl-4-(4-ethylphenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine

C25H24N2O3S — CID 18890355

IUPACN-benzyl-4-(4-ethylphenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine
SMILESCCc1ccc(S(=O)(=O)c2nc(-c3ccccc3C)oc2NCc2ccccc2)cc1
InChIInChI=1S/C25H24N2O3S/c1-3-19-13-15-21(16-14-19)31(28,29)25-24(26-17-20-10-5-4-6-11-20)30-23(27-25)22-12-8-7-9-18(22)2/h4-16,26H,3,17H2,1-2H3
InChIKeyLWVGNBIRSGBMEL-UHFFFAOYSA-N
MW432.55 g/mol
LogP5.66
Rot. Bonds7

About N-benzyl-4-(4-ethylphenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine

N-benzyl-4-(4-ethylphenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine (PubChem CID 18890355) has the molecular formula C25H24N2O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-benzyl-4-(4-ethylphenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound NameN-benzyl-4-(4-ethylphenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine
PubChem CID18890355
Molecular FormulaC25H24N2O3S
Molecular Weight432.55 g/mol
Exact Mass432.15
IUPAC NameN-benzyl-4-(4-ethylphenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine
SMILESCCc1ccc(S(=O)(=O)c2nc(-c3ccccc3C)oc2NCc2ccccc2)cc1
InChIInChI=1S/C25H24N2O3S/c1-3-19-13-15-21(16-14-19)31(28,29)25-24(26-17-20-10-5-4-6-11-20)30-23(27-25)22-12-8-7-9-18(22)2/h4-16,26H,3,17H2,1-2H3
InChIKeyLWVGNBIRSGBMEL-UHFFFAOYSA-N
XLogP5.66
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.55
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(4-ethylphenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine?
The IUPAC name of N-benzyl-4-(4-ethylphenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine (CID 18890355) is N-benzyl-4-(4-ethylphenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine.
What is the SMILES notation for N-benzyl-4-(4-ethylphenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine?
The canonical SMILES for N-benzyl-4-(4-ethylphenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine is CCc1ccc(S(=O)(=O)c2nc(-c3ccccc3C)oc2NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-(4-ethylphenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine?
The InChIKey is LWVGNBIRSGBMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3S/c1-3-19-13-15-21(16-14-19)31(28,29)25-24(26-17-20-10-5-4-6-11-20)30-23(27-25)22-12-8-7-9-18(22)2/h4-16,26H,3,17H2,1-2H3.
What are the key properties of N-benzyl-4-(4-ethylphenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine?
N-benzyl-4-(4-ethylphenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine has a molecular weight of 432.55 g/mol, XLogP of 5.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4-ethylphenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 18890355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).