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

C25H24N2O4S — CID 18825407

IUPACN-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
SMILESCOc1ccc(CNc2oc(-c3ccc(C)cc3)nc2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H24N2O4S/c1-17-4-10-20(11-5-17)23-27-25(32(28,29)22-14-6-18(2)7-15-22)24(31-23)26-16-19-8-12-21(30-3)13-9-19/h4-15,26H,16H2,1-3H3
InChIKeyVHFSODXJMPXVLP-UHFFFAOYSA-N
MW448.54 g/mol
LogP5.41
Rot. Bonds7

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

N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine (PubChem CID 18825407) has the molecular formula C25H24N2O4S and a molecular weight of 448.54 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
PubChem CID18825407
Molecular FormulaC25H24N2O4S
Molecular Weight448.54 g/mol
Exact Mass448.15
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
SMILESCOc1ccc(CNc2oc(-c3ccc(C)cc3)nc2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H24N2O4S/c1-17-4-10-20(11-5-17)23-27-25(32(28,29)22-14-6-18(2)7-15-22)24(31-23)26-16-19-8-12-21(30-3)13-9-19/h4-15,26H,16H2,1-3H3
InChIKeyVHFSODXJMPXVLP-UHFFFAOYSA-N
XLogP5.41
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.54
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine
CID 18827053
4-(benzenesulfonyl)-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-oxazol-5-amine
CID 18824880
N-benzyl-2-(4-tert-butylphenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18890276
N-benzyl-2-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18890238
4-(4-bromophenyl)sulfonyl-2-(4-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-oxazol-5-amine
CID 18826304
N-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine
CID 18825354
2-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18826141
4-(benzenesulfonyl)-N-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18826955
N-[(2-chlorophenyl)methyl]-4-(4-chlorophenyl)sulfonyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18827120
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-amine
CID 18824906
N-benzyl-2-(2-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18890234
4-(benzenesulfonyl)-N-benzyl-2-(3,4-dimethoxyphenyl)-1,3-oxazol-5-amine
CID 1154494

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine (CID 18825407) is N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine is COc1ccc(CNc2oc(-c3ccc(C)cc3)nc2S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine?
The InChIKey is VHFSODXJMPXVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4S/c1-17-4-10-20(11-5-17)23-27-25(32(28,29)22-14-6-18(2)7-15-22)24(31-23)26-16-19-8-12-21(30-3)13-9-19/h4-15,26H,16H2,1-3H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine?
N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine has a molecular weight of 448.54 g/mol, XLogP of 5.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine is sourced from PubChem (CID 18825407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).