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

C23H19ClN2O3S — CID 18825667

IUPACN-(4-chlorophenyl)-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
SMILESCc1ccc(S(=O)(=O)c2nc(-c3cccc(C)c3)oc2Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H19ClN2O3S/c1-15-6-12-20(13-7-15)30(27,28)23-22(25-19-10-8-18(24)9-11-19)29-21(26-23)17-5-3-4-16(2)14-17/h3-14,25H,1-2H3
InChIKeyNRULJAFNQMTAOC-UHFFFAOYSA-N
MW438.94 g/mol
LogP6.19
Rot. Bonds5

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

N-(4-chlorophenyl)-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine (PubChem CID 18825667) has the molecular formula C23H19ClN2O3S and a molecular weight of 438.94 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
PubChem CID18825667
Molecular FormulaC23H19ClN2O3S
Molecular Weight438.94 g/mol
Exact Mass438.08
IUPAC NameN-(4-chlorophenyl)-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
SMILESCc1ccc(S(=O)(=O)c2nc(-c3cccc(C)c3)oc2Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H19ClN2O3S/c1-15-6-12-20(13-7-15)30(27,28)23-22(25-19-10-8-18(24)9-11-19)29-21(26-23)17-5-3-4-16(2)14-17/h3-14,25H,1-2H3
InChIKeyNRULJAFNQMTAOC-UHFFFAOYSA-N
XLogP6.19
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.94
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine?
The IUPAC name of N-(4-chlorophenyl)-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine (CID 18825667) is N-(4-chlorophenyl)-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine.
What is the SMILES notation for N-(4-chlorophenyl)-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine?
The canonical SMILES for N-(4-chlorophenyl)-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine is Cc1ccc(S(=O)(=O)c2nc(-c3cccc(C)c3)oc2Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine?
The InChIKey is NRULJAFNQMTAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3S/c1-15-6-12-20(13-7-15)30(27,28)23-22(25-19-10-8-18(24)9-11-19)29-21(26-23)17-5-3-4-16(2)14-17/h3-14,25H,1-2H3.
What are the key properties of N-(4-chlorophenyl)-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine?
N-(4-chlorophenyl)-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine has a molecular weight of 438.94 g/mol, XLogP of 6.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine is sourced from PubChem (CID 18825667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).