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

C25H24N2O4S — CID 18825354

IUPACN-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine
SMILESCOc1ccc(CCNc2oc(-c3ccccc3)nc2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H24N2O4S/c1-18-8-14-22(15-9-18)32(28,29)25-24(31-23(27-25)20-6-4-3-5-7-20)26-17-16-19-10-12-21(30-2)13-11-19/h3-15,26H,16-17H2,1-2H3
InChIKeyRZCAHTSMCLTQHE-UHFFFAOYSA-N
MW448.54 g/mol
LogP5.15
Rot. Bonds8

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

N-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine (PubChem CID 18825354) has the molecular formula C25H24N2O4S and a molecular weight of 448.54 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine
PubChem CID18825354
Molecular FormulaC25H24N2O4S
Molecular Weight448.54 g/mol
Exact Mass448.15
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine
SMILESCOc1ccc(CCNc2oc(-c3ccccc3)nc2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H24N2O4S/c1-18-8-14-22(15-9-18)32(28,29)25-24(31-23(27-25)20-6-4-3-5-7-20)26-17-16-19-10-12-21(30-2)13-11-19/h3-15,26H,16-17H2,1-2H3
InChIKeyRZCAHTSMCLTQHE-UHFFFAOYSA-N
XLogP5.15
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.54
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18826141
4-(benzenesulfonyl)-2-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-oxazol-5-amine
CID 18825366
N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18825407
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[2-(4-methoxyphenyl)ethyl]-2-phenyl-1,3-oxazol-5-amine
CID 16649604
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine
CID 18825159
2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]-1,3-oxazol-5-amine
CID 18826652
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
4-(benzenesulfonyl)-N-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18826955
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18827066
4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-oxazol-5-amine
CID 18826885
N-[4-(benzenesulfonyl)-2-(4-methoxyphenyl)-1,3-oxazol-5-yl]-N',N'-dimethylpropane-1,3-diamine
CID 4825674

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine (CID 18825354) is N-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine is COc1ccc(CCNc2oc(-c3ccccc3)nc2S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine?
The InChIKey is RZCAHTSMCLTQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4S/c1-18-8-14-22(15-9-18)32(28,29)25-24(31-23(27-25)20-6-4-3-5-7-20)26-17-16-19-10-12-21(30-2)13-11-19/h3-15,26H,16-17H2,1-2H3.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine?
N-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine has a molecular weight of 448.54 g/mol, XLogP of 5.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine is sourced from PubChem (CID 18825354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).