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

C24H22N2O4S — CID 18825642

IUPACN-(3-methoxyphenyl)-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
SMILESCOc1cccc(Nc2oc(-c3cccc(C)c3)nc2S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C24H22N2O4S/c1-16-10-12-21(13-11-16)31(27,28)24-23(25-19-8-5-9-20(15-19)29-3)30-22(26-24)18-7-4-6-17(2)14-18/h4-15,25H,1-3H3
InChIKeyAZYFUBRBDNWSHI-UHFFFAOYSA-N
MW434.52 g/mol
LogP5.54
Rot. Bonds6

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

N-(3-methoxyphenyl)-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine (PubChem CID 18825642) has the molecular formula C24H22N2O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
PubChem CID18825642
Molecular FormulaC24H22N2O4S
Molecular Weight434.52 g/mol
Exact Mass434.13
IUPAC NameN-(3-methoxyphenyl)-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
SMILESCOc1cccc(Nc2oc(-c3cccc(C)c3)nc2S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C24H22N2O4S/c1-16-10-12-21(13-11-16)31(27,28)24-23(25-19-8-5-9-20(15-19)29-3)30-22(26-24)18-7-4-6-17(2)14-18/h4-15,25H,1-3H3
InChIKeyAZYFUBRBDNWSHI-UHFFFAOYSA-N
XLogP5.54
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.52
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-methoxyphenyl)-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(benzenesulfonyl)-N-(3-methoxyphenyl)-2-phenyl-1,3-oxazol-5-amine
CID 18825622
2-(4-bromophenyl)-4-(4-bromophenyl)sulfonyl-N-(3-methoxyphenyl)-1,3-oxazol-5-amine
CID 18826048
4-(4-bromophenyl)sulfonyl-2-(3-methylphenyl)-N-(4-methylphenyl)-1,3-oxazol-5-amine
CID 18825595
N-(4-chlorophenyl)-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18825667
4-(4-bromophenyl)sulfonyl-2-(4-chlorophenyl)-N-(3-methoxyphenyl)-1,3-oxazol-5-amine
CID 4704871
4-(benzenesulfonyl)-N-(3,5-dimethylphenyl)-2-(3-methylphenyl)-1,3-oxazol-5-amine
CID 18825718
2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)-1,3-oxazol-5-amine
CID 18826852
4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-N-(3-methoxyphenyl)-1,3-oxazol-5-amine
CID 18826456
N-cyclopropyl-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 16812306
2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine
CID 18825000
N-(4-methoxyphenyl)-2-(2-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18825611
2-(4-ethoxyphenyl)-4-(4-methylphenyl)sulfonyl-N-phenyl-1,3-oxazol-5-amine
CID 18826150

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine?
The IUPAC name of N-(3-methoxyphenyl)-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine (CID 18825642) is N-(3-methoxyphenyl)-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine?
The canonical SMILES for N-(3-methoxyphenyl)-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine is COc1cccc(Nc2oc(-c3cccc(C)c3)nc2S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine?
The InChIKey is AZYFUBRBDNWSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S/c1-16-10-12-21(13-11-16)31(27,28)24-23(25-19-8-5-9-20(15-19)29-3)30-22(26-24)18-7-4-6-17(2)14-18/h4-15,25H,1-3H3.
What are the key properties of N-(3-methoxyphenyl)-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine?
N-(3-methoxyphenyl)-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine has a molecular weight of 434.52 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine is sourced from PubChem (CID 18825642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).