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

C19H26N2O5S — CID 18890454

IUPAC4-[2-butyl-4-(4-ethoxyphenyl)sulfonyl-1,3-oxazol-5-yl]morpholine
SMILESCCCCc1nc(S(=O)(=O)c2ccc(OCC)cc2)c(N2CCOCC2)o1
InChIInChI=1S/C19H26N2O5S/c1-3-5-6-17-20-18(19(26-17)21-11-13-24-14-12-21)27(22,23)16-9-7-15(8-10-16)25-4-2/h7-10H,3-6,11-14H2,1-2H3
InChIKeyYQVANGKBLMJJPU-UHFFFAOYSA-N
MW394.49 g/mol
LogP3.09
Rot. Bonds8

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

4-[2-butyl-4-(4-ethoxyphenyl)sulfonyl-1,3-oxazol-5-yl]morpholine (PubChem CID 18890454) has the molecular formula C19H26N2O5S and a molecular weight of 394.49 g/mol. Its IUPAC name is 4-[2-butyl-4-(4-ethoxyphenyl)sulfonyl-1,3-oxazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[2-butyl-4-(4-ethoxyphenyl)sulfonyl-1,3-oxazol-5-yl]morpholine
PubChem CID18890454
Molecular FormulaC19H26N2O5S
Molecular Weight394.49 g/mol
Exact Mass394.16
IUPAC Name4-[2-butyl-4-(4-ethoxyphenyl)sulfonyl-1,3-oxazol-5-yl]morpholine
SMILESCCCCc1nc(S(=O)(=O)c2ccc(OCC)cc2)c(N2CCOCC2)o1
InChIInChI=1S/C19H26N2O5S/c1-3-5-6-17-20-18(19(26-17)21-11-13-24-14-12-21)27(22,23)16-9-7-15(8-10-16)25-4-2/h7-10H,3-6,11-14H2,1-2H3
InChIKeyYQVANGKBLMJJPU-UHFFFAOYSA-N
XLogP3.09
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[2-butyl-4-(4-ethoxyphenyl)sulfonyl-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

Frequently Asked Questions

What is the IUPAC name of 4-[2-butyl-4-(4-ethoxyphenyl)sulfonyl-1,3-oxazol-5-yl]morpholine?
The IUPAC name of 4-[2-butyl-4-(4-ethoxyphenyl)sulfonyl-1,3-oxazol-5-yl]morpholine (CID 18890454) is 4-[2-butyl-4-(4-ethoxyphenyl)sulfonyl-1,3-oxazol-5-yl]morpholine.
What is the SMILES notation for 4-[2-butyl-4-(4-ethoxyphenyl)sulfonyl-1,3-oxazol-5-yl]morpholine?
The canonical SMILES for 4-[2-butyl-4-(4-ethoxyphenyl)sulfonyl-1,3-oxazol-5-yl]morpholine is CCCCc1nc(S(=O)(=O)c2ccc(OCC)cc2)c(N2CCOCC2)o1.
What is the InChIKey of 4-[2-butyl-4-(4-ethoxyphenyl)sulfonyl-1,3-oxazol-5-yl]morpholine?
The InChIKey is YQVANGKBLMJJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5S/c1-3-5-6-17-20-18(19(26-17)21-11-13-24-14-12-21)27(22,23)16-9-7-15(8-10-16)25-4-2/h7-10H,3-6,11-14H2,1-2H3.
What are the key properties of 4-[2-butyl-4-(4-ethoxyphenyl)sulfonyl-1,3-oxazol-5-yl]morpholine?
4-[2-butyl-4-(4-ethoxyphenyl)sulfonyl-1,3-oxazol-5-yl]morpholine has a molecular weight of 394.49 g/mol, XLogP of 3.09, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-butyl-4-(4-ethoxyphenyl)sulfonyl-1,3-oxazol-5-yl]morpholine is sourced from PubChem (CID 18890454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).