4-(benzenesulfonyl)-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine

C24H22N2O3S — CID 18824880

IUPAC4-(benzenesulfonyl)-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine
SMILESCc1ccc(CNc2oc(-c3ccc(C)cc3)nc2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H22N2O3S/c1-17-8-12-19(13-9-17)16-25-23-24(30(27,28)21-6-4-3-5-7-21)26-22(29-23)20-14-10-18(2)11-15-20/h3-15,25H,16H2,1-2H3
InChIKeyHWMKEFSVZGNWSR-UHFFFAOYSA-N
MW418.52 g/mol
LogP5.40
Rot. Bonds6

About 4-(benzenesulfonyl)-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine

4-(benzenesulfonyl)-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine (PubChem CID 18824880) has the molecular formula C24H22N2O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine
PubChem CID18824880
Molecular FormulaC24H22N2O3S
Molecular Weight418.52 g/mol
Exact Mass418.14
IUPAC Name4-(benzenesulfonyl)-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine
SMILESCc1ccc(CNc2oc(-c3ccc(C)cc3)nc2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H22N2O3S/c1-17-8-12-19(13-9-17)16-25-23-24(30(27,28)21-6-4-3-5-7-21)26-22(29-23)20-14-10-18(2)11-15-20/h3-15,25H,16H2,1-2H3
InChIKeyHWMKEFSVZGNWSR-UHFFFAOYSA-N
XLogP5.40
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.52
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18825407
4-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine
CID 18827053
4-(benzenesulfonyl)-N-methyl-2-(4-methylphenyl)-1,3-oxazol-5-amine
CID 16812296
N-[(4-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-amine
CID 171336710
N-benzyl-2-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18890238
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
4-(benzenesulfonyl)-N-ethyl-2-phenyl-1,3-oxazol-5-amine
CID 2219638
N-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine
CID 18825354
4-(4-bromophenyl)sulfonyl-N-[(4-chlorophenyl)methyl]-2-phenyl-1,3-oxazol-5-amine
CID 18824900
2-(2-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine
CID 18826583
4-(benzenesulfonyl)-N-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18826955

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine?
The IUPAC name of 4-(benzenesulfonyl)-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine (CID 18824880) is 4-(benzenesulfonyl)-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(benzenesulfonyl)-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine?
The canonical SMILES for 4-(benzenesulfonyl)-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine is Cc1ccc(CNc2oc(-c3ccc(C)cc3)nc2S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfonyl)-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine?
The InChIKey is HWMKEFSVZGNWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3S/c1-17-8-12-19(13-9-17)16-25-23-24(30(27,28)21-6-4-3-5-7-21)26-22(29-23)20-14-10-18(2)11-15-20/h3-15,25H,16H2,1-2H3.
What are the key properties of 4-(benzenesulfonyl)-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine?
4-(benzenesulfonyl)-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine has a molecular weight of 418.52 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine is sourced from PubChem (CID 18824880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).