2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine

C19H18Cl2N2O3S — CID 18826635

IUPAC2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine
SMILESCC(C)CNc1oc(-c2ccccc2Cl)nc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H18Cl2N2O3S/c1-12(2)11-22-18-19(27(24,25)14-9-7-13(20)8-10-14)23-17(26-18)15-5-3-4-6-16(15)21/h3-10,12,22H,11H2,1-2H3
InChIKeyHTXUFQAQUFMCIX-UHFFFAOYSA-N
MW425.34 g/mol
LogP5.55
Rot. Bonds6

About 2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine

2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine (PubChem CID 18826635) has the molecular formula C19H18Cl2N2O3S and a molecular weight of 425.34 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine
PubChem CID18826635
Molecular FormulaC19H18Cl2N2O3S
Molecular Weight425.34 g/mol
Exact Mass424.04
IUPAC Name2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine
SMILESCC(C)CNc1oc(-c2ccccc2Cl)nc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H18Cl2N2O3S/c1-12(2)11-22-18-19(27(24,25)14-9-7-13(20)8-10-14)23-17(26-18)15-5-3-4-6-16(15)21/h3-10,12,22H,11H2,1-2H3
InChIKeyHTXUFQAQUFMCIX-UHFFFAOYSA-N
XLogP5.55
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.34
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine?
The IUPAC name of 2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine (CID 18826635) is 2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine?
The canonical SMILES for 2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine is CC(C)CNc1oc(-c2ccccc2Cl)nc1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine?
The InChIKey is HTXUFQAQUFMCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O3S/c1-12(2)11-22-18-19(27(24,25)14-9-7-13(20)8-10-14)23-17(26-18)15-5-3-4-6-16(15)21/h3-10,12,22H,11H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine?
2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine has a molecular weight of 425.34 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 18826635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).