[1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone

C23H31N3O4 — CID 24791392

IUPAC[1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCCOc1ccc(-c2nc(CN3CCCC(C(=O)N4CCOCC4)C3)c(C)o2)cc1
InChIInChI=1S/C23H31N3O4/c1-3-29-20-8-6-18(7-9-20)22-24-21(17(2)30-22)16-25-10-4-5-19(15-25)23(27)26-11-13-28-14-12-26/h6-9,19H,3-5,10-16H2,1-2H3
InChIKeyWZRGCATZFPSUCL-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.12
Rot. Bonds6

About [1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone

[1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 24791392) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is [1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID24791392
Molecular FormulaC23H31N3O4
Molecular Weight413.52 g/mol
Exact Mass413.23
IUPAC Name[1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCCOc1ccc(-c2nc(CN3CCCC(C(=O)N4CCOCC4)C3)c(C)o2)cc1
InChIInChI=1S/C23H31N3O4/c1-3-29-20-8-6-18(7-9-20)22-24-21(17(2)30-22)16-25-10-4-5-19(15-25)23(27)26-11-13-28-14-12-26/h6-9,19H,3-5,10-16H2,1-2H3
InChIKeyWZRGCATZFPSUCL-UHFFFAOYSA-N
XLogP3.12
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone (CID 24791392) is [1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone is CCOc1ccc(-c2nc(CN3CCCC(C(=O)N4CCOCC4)C3)c(C)o2)cc1.
What is the InChIKey of [1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is WZRGCATZFPSUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4/c1-3-29-20-8-6-18(7-9-20)22-24-21(17(2)30-22)16-25-10-4-5-19(15-25)23(27)26-11-13-28-14-12-26/h6-9,19H,3-5,10-16H2,1-2H3.
What are the key properties of [1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
[1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 413.52 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 24791392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).