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

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Related Compounds

5-(azepan-1-yl)-2-butyl-4-(4-ethoxyphenyl)sulfonyl-1,3-oxazole
CID 18890456
4-[4-(4-ethoxyphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-yl]morpholine
CID 18890469
4-[4-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]morpholine
CID 18826217
4-(benzenesulfonyl)-2-butyl-5-piperidin-1-yl-1,3-oxazole
CID 4511912
5-(azepan-1-yl)-4-(4-ethoxyphenyl)sulfonyl-2-(4-methoxyphenyl)-1,3-oxazole
CID 18890536
5-(azepan-1-yl)-4-(4-ethoxyphenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-oxazole
CID 18890569
2-(4-ethoxyphenyl)-4-(4-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)-1,3-oxazole
CID 18826180
5-(azepan-1-yl)-2-(2,4-dichlorophenyl)-4-(4-ethoxyphenyl)sulfonyl-1,3-oxazole
CID 18890546
4-[2-(2-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]morpholine
CID 1154472
4-[4-(4-ethylphenyl)sulfonyl-2-naphthalen-1-yl-1,3-oxazol-5-yl]morpholine
CID 18890424
4-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]morpholine
CID 1110868
1-[4-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 18826265

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).