4-(benzenesulfonyl)-N-(3-methoxyphenyl)-2-phenyl-1,3-oxazol-5-amine

C22H18N2O4S — CID 18825622

IUPAC4-(benzenesulfonyl)-N-(3-methoxyphenyl)-2-phenyl-1,3-oxazol-5-amine
SMILESCOc1cccc(Nc2oc(-c3ccccc3)nc2S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C22H18N2O4S/c1-27-18-12-8-11-17(15-18)23-21-22(29(25,26)19-13-6-3-7-14-19)24-20(28-21)16-9-4-2-5-10-16/h2-15,23H,1H3
InChIKeySSOZUXBXLLDJMV-UHFFFAOYSA-N
MW406.46 g/mol
LogP4.93
Rot. Bonds6

About 4-(benzenesulfonyl)-N-(3-methoxyphenyl)-2-phenyl-1,3-oxazol-5-amine

4-(benzenesulfonyl)-N-(3-methoxyphenyl)-2-phenyl-1,3-oxazol-5-amine (PubChem CID 18825622) has the molecular formula C22H18N2O4S and a molecular weight of 406.46 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-(3-methoxyphenyl)-2-phenyl-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-(3-methoxyphenyl)-2-phenyl-1,3-oxazol-5-amine
PubChem CID18825622
Molecular FormulaC22H18N2O4S
Molecular Weight406.46 g/mol
Exact Mass406.10
IUPAC Name4-(benzenesulfonyl)-N-(3-methoxyphenyl)-2-phenyl-1,3-oxazol-5-amine
SMILESCOc1cccc(Nc2oc(-c3ccccc3)nc2S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C22H18N2O4S/c1-27-18-12-8-11-17(15-18)23-21-22(29(25,26)19-13-6-3-7-14-19)24-20(28-21)16-9-4-2-5-10-16/h2-15,23H,1H3
InChIKeySSOZUXBXLLDJMV-UHFFFAOYSA-N
XLogP4.93
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-bromophenyl)-4-(4-bromophenyl)sulfonyl-N-(3-methoxyphenyl)-1,3-oxazol-5-amine
CID 18826048
N-(3-methoxyphenyl)-2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18825642
4-(benzenesulfonyl)-N-(4-fluorophenyl)-2-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18826989
4-(4-bromophenyl)sulfonyl-2-(4-chlorophenyl)-N-(3-methoxyphenyl)-1,3-oxazol-5-amine
CID 4704871
2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)-1,3-oxazol-5-amine
CID 18826852
4-(4-fluorophenyl)sulfonyl-N,2-diphenyl-1,3-oxazol-5-amine
CID 18825550
4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-N-(3-methoxyphenyl)-1,3-oxazol-5-amine
CID 18826456
4-(benzenesulfonyl)-N-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18826955
4-(benzenesulfonyl)-N-(3,5-dimethylphenyl)-2-(3-methylphenyl)-1,3-oxazol-5-amine
CID 18825718
4-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2-(4-fluorophenyl)-1,3-oxazol-5-amine
CID 18825777
N-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine
CID 18825648
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 4-(benzenesulfonyl)-N-(3-methoxyphenyl)-2-phenyl-1,3-oxazol-5-amine?
The IUPAC name of 4-(benzenesulfonyl)-N-(3-methoxyphenyl)-2-phenyl-1,3-oxazol-5-amine (CID 18825622) is 4-(benzenesulfonyl)-N-(3-methoxyphenyl)-2-phenyl-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(benzenesulfonyl)-N-(3-methoxyphenyl)-2-phenyl-1,3-oxazol-5-amine?
The canonical SMILES for 4-(benzenesulfonyl)-N-(3-methoxyphenyl)-2-phenyl-1,3-oxazol-5-amine is COc1cccc(Nc2oc(-c3ccccc3)nc2S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 4-(benzenesulfonyl)-N-(3-methoxyphenyl)-2-phenyl-1,3-oxazol-5-amine?
The InChIKey is SSOZUXBXLLDJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4S/c1-27-18-12-8-11-17(15-18)23-21-22(29(25,26)19-13-6-3-7-14-19)24-20(28-21)16-9-4-2-5-10-16/h2-15,23H,1H3.
What are the key properties of 4-(benzenesulfonyl)-N-(3-methoxyphenyl)-2-phenyl-1,3-oxazol-5-amine?
4-(benzenesulfonyl)-N-(3-methoxyphenyl)-2-phenyl-1,3-oxazol-5-amine has a molecular weight of 406.46 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-(3-methoxyphenyl)-2-phenyl-1,3-oxazol-5-amine is sourced from PubChem (CID 18825622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).