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

C25H24N2O5S — CID 18890568

IUPACN-benzyl-4-(4-ethoxyphenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-oxazol-5-amine
SMILESCCOc1ccc(S(=O)(=O)c2nc(-c3ccccc3OC)oc2NCc2ccccc2)cc1
InChIInChI=1S/C25H24N2O5S/c1-3-31-19-13-15-20(16-14-19)33(28,29)25-24(26-17-18-9-5-4-6-10-18)32-23(27-25)21-11-7-8-12-22(21)30-2/h4-16,26H,3,17H2,1-2H3
InChIKeyOZBNHGDADKSAEA-UHFFFAOYSA-N
MW464.54 g/mol
LogP5.19
Rot. Bonds9

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

N-benzyl-4-(4-ethoxyphenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-oxazol-5-amine (PubChem CID 18890568) has the molecular formula C25H24N2O5S and a molecular weight of 464.54 g/mol. Its IUPAC name is N-benzyl-4-(4-ethoxyphenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound NameN-benzyl-4-(4-ethoxyphenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-oxazol-5-amine
PubChem CID18890568
Molecular FormulaC25H24N2O5S
Molecular Weight464.54 g/mol
Exact Mass464.14
IUPAC NameN-benzyl-4-(4-ethoxyphenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-oxazol-5-amine
SMILESCCOc1ccc(S(=O)(=O)c2nc(-c3ccccc3OC)oc2NCc2ccccc2)cc1
InChIInChI=1S/C25H24N2O5S/c1-3-31-19-13-15-20(16-14-19)33(28,29)25-24(26-17-18-9-5-4-6-10-18)32-23(27-25)21-11-7-8-12-22(21)30-2/h4-16,26H,3,17H2,1-2H3
InChIKeyOZBNHGDADKSAEA-UHFFFAOYSA-N
XLogP5.19
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.54
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-4-(4-ethoxyphenyl)sulfonyl-2-naphthalen-1-yl-1,3-oxazol-5-amine
CID 18890540
N-benzyl-2-(2-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18890234
N-benzyl-2-(3-bromophenyl)-4-(4-ethoxyphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18890512
N-benzyl-2-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18890238
4-(4-bromophenyl)sulfonyl-2-(4-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-oxazol-5-amine
CID 18826304
N-benzyl-4-(4-ethylphenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 18890355
5-(azepan-1-yl)-4-(4-ethoxyphenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-oxazole
CID 18890569
N-benzyl-2-(4-tert-butylphenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18890276
4-(benzenesulfonyl)-N-benzyl-2-(3,4-dimethoxyphenyl)-1,3-oxazol-5-amine
CID 1154494
N-[(4-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 18825299
2-(2-ethoxyphenyl)-N-methyl-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine;methanamine
CID 158152610
N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18825407

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(4-ethoxyphenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-oxazol-5-amine?
The IUPAC name of N-benzyl-4-(4-ethoxyphenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-oxazol-5-amine (CID 18890568) is N-benzyl-4-(4-ethoxyphenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-oxazol-5-amine.
What is the SMILES notation for N-benzyl-4-(4-ethoxyphenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-oxazol-5-amine?
The canonical SMILES for N-benzyl-4-(4-ethoxyphenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-oxazol-5-amine is CCOc1ccc(S(=O)(=O)c2nc(-c3ccccc3OC)oc2NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-(4-ethoxyphenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-oxazol-5-amine?
The InChIKey is OZBNHGDADKSAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5S/c1-3-31-19-13-15-20(16-14-19)33(28,29)25-24(26-17-18-9-5-4-6-10-18)32-23(27-25)21-11-7-8-12-22(21)30-2/h4-16,26H,3,17H2,1-2H3.
What are the key properties of N-benzyl-4-(4-ethoxyphenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-oxazol-5-amine?
N-benzyl-4-(4-ethoxyphenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-oxazol-5-amine has a molecular weight of 464.54 g/mol, XLogP of 5.19, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4-ethoxyphenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 18890568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).