4-[4-(4-ethoxyphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-yl]morpholine

C21H22N2O5S — CID 18890469

IUPAC4-[4-(4-ethoxyphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-yl]morpholine
SMILESCCOc1ccc(S(=O)(=O)c2nc(-c3ccccc3)oc2N2CCOCC2)cc1
InChIInChI=1S/C21H22N2O5S/c1-2-27-17-8-10-18(11-9-17)29(24,25)20-21(23-12-14-26-15-13-23)28-19(22-20)16-6-4-3-5-7-16/h3-11H,2,12-15H2,1H3
InChIKeyCTQKUEPWDHOEJA-UHFFFAOYSA-N
MW414.48 g/mol
LogP3.41
Rot. Bonds6

About 4-[4-(4-ethoxyphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-yl]morpholine

4-[4-(4-ethoxyphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-yl]morpholine (PubChem CID 18890469) has the molecular formula C21H22N2O5S and a molecular weight of 414.48 g/mol. Its IUPAC name is 4-[4-(4-ethoxyphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[4-(4-ethoxyphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-yl]morpholine
PubChem CID18890469
Molecular FormulaC21H22N2O5S
Molecular Weight414.48 g/mol
Exact Mass414.12
IUPAC Name4-[4-(4-ethoxyphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-yl]morpholine
SMILESCCOc1ccc(S(=O)(=O)c2nc(-c3ccccc3)oc2N2CCOCC2)cc1
InChIInChI=1S/C21H22N2O5S/c1-2-27-17-8-10-18(11-9-17)29(24,25)20-21(23-12-14-26-15-13-23)28-19(22-20)16-6-4-3-5-7-16/h3-11H,2,12-15H2,1H3
InChIKeyCTQKUEPWDHOEJA-UHFFFAOYSA-N
XLogP3.41
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[4-(4-ethoxyphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-yl]morpholine 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-[4-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]morpholine
CID 18826217
4-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]morpholine
CID 1110868
5-(azepan-1-yl)-4-(4-ethoxyphenyl)sulfonyl-2-(4-methoxyphenyl)-1,3-oxazole
CID 18890536
4-[2-butyl-4-(4-ethoxyphenyl)sulfonyl-1,3-oxazol-5-yl]morpholine
CID 18890454
2-(4-ethoxyphenyl)-4-(4-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)-1,3-oxazole
CID 18826180
5-(azepan-1-yl)-4-(4-ethoxyphenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-oxazole
CID 18890569
1-[4-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 18826265
4-(benzenesulfonyl)-2-(4-methylphenyl)-5-pyrrolidin-1-yl-1,3-oxazole
CID 18824739
4-(benzenesulfonyl)-5-(4-methylpiperidin-1-yl)-2-phenyl-1,3-oxazole
CID 18824785
4-[4-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazol-5-yl]morpholine
CID 16958132
4-[4-(4-chlorophenyl)sulfonyl-2-(3-methylphenyl)-1,3-oxazol-5-yl]morpholine
CID 1206113
4-[4-(4-ethylphenyl)sulfonyl-2-naphthalen-1-yl-1,3-oxazol-5-yl]morpholine
CID 18890424

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-ethoxyphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-yl]morpholine?
The IUPAC name of 4-[4-(4-ethoxyphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-yl]morpholine (CID 18890469) is 4-[4-(4-ethoxyphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-yl]morpholine.
What is the SMILES notation for 4-[4-(4-ethoxyphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-yl]morpholine?
The canonical SMILES for 4-[4-(4-ethoxyphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-yl]morpholine is CCOc1ccc(S(=O)(=O)c2nc(-c3ccccc3)oc2N2CCOCC2)cc1.
What is the InChIKey of 4-[4-(4-ethoxyphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-yl]morpholine?
The InChIKey is CTQKUEPWDHOEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5S/c1-2-27-17-8-10-18(11-9-17)29(24,25)20-21(23-12-14-26-15-13-23)28-19(22-20)16-6-4-3-5-7-16/h3-11H,2,12-15H2,1H3.
What are the key properties of 4-[4-(4-ethoxyphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-yl]morpholine?
4-[4-(4-ethoxyphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-yl]morpholine has a molecular weight of 414.48 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-ethoxyphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-yl]morpholine is sourced from PubChem (CID 18890469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).