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

C17H15ClN2O3S — CID 5098546

IUPAC4-(4-chlorophenyl)sulfonyl-N-methyl-2-(4-methylphenyl)-1,3-oxazol-5-amine
SMILESCNc1oc(-c2ccc(C)cc2)nc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O3S/c1-11-3-5-12(6-4-11)15-20-17(16(19-2)23-15)24(21,22)14-9-7-13(18)8-10-14/h3-10,19H,1-2H3
InChIKeyKPNRBTSRBHAXHE-UHFFFAOYSA-N
MW362.84 g/mol
LogP4.18
Rot. Bonds4

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

4-(4-chlorophenyl)sulfonyl-N-methyl-2-(4-methylphenyl)-1,3-oxazol-5-amine (PubChem CID 5098546) has the molecular formula C17H15ClN2O3S and a molecular weight of 362.84 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-N-methyl-2-(4-methylphenyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-N-methyl-2-(4-methylphenyl)-1,3-oxazol-5-amine
PubChem CID5098546
Molecular FormulaC17H15ClN2O3S
Molecular Weight362.84 g/mol
Exact Mass362.05
IUPAC Name4-(4-chlorophenyl)sulfonyl-N-methyl-2-(4-methylphenyl)-1,3-oxazol-5-amine
SMILESCNc1oc(-c2ccc(C)cc2)nc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O3S/c1-11-3-5-12(6-4-11)15-20-17(16(19-2)23-15)24(21,22)14-9-7-13(18)8-10-14/h3-10,19H,1-2H3
InChIKeyKPNRBTSRBHAXHE-UHFFFAOYSA-N
XLogP4.18
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-N-methyl-2-(4-methylphenyl)-1,3-oxazol-5-amine?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-N-methyl-2-(4-methylphenyl)-1,3-oxazol-5-amine (CID 5098546) is 4-(4-chlorophenyl)sulfonyl-N-methyl-2-(4-methylphenyl)-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-N-methyl-2-(4-methylphenyl)-1,3-oxazol-5-amine?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-N-methyl-2-(4-methylphenyl)-1,3-oxazol-5-amine is CNc1oc(-c2ccc(C)cc2)nc1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-N-methyl-2-(4-methylphenyl)-1,3-oxazol-5-amine?
The InChIKey is KPNRBTSRBHAXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3S/c1-11-3-5-12(6-4-11)15-20-17(16(19-2)23-15)24(21,22)14-9-7-13(18)8-10-14/h3-10,19H,1-2H3.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-N-methyl-2-(4-methylphenyl)-1,3-oxazol-5-amine?
4-(4-chlorophenyl)sulfonyl-N-methyl-2-(4-methylphenyl)-1,3-oxazol-5-amine has a molecular weight of 362.84 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-N-methyl-2-(4-methylphenyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 5098546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).