1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]butan-1-one

C18H27N3O4 — CID 71837672

IUPAC1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(c2nc(C(=O)N3CCOCC3)c(C)o2)CC1
InChIInChI=1S/C18H27N3O4/c1-3-4-15(22)20-7-5-14(6-8-20)17-19-16(13(2)25-17)18(23)21-9-11-24-12-10-21/h14H,3-12H2,1-2H3
InChIKeyDFEPKUDBAUKOIR-UHFFFAOYSA-N
MW349.43 g/mol
LogP1.96
Rot. Bonds4

About 1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]butan-1-one

1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]butan-1-one (PubChem CID 71837672) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]butan-1-one
PubChem CID71837672
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(c2nc(C(=O)N3CCOCC3)c(C)o2)CC1
InChIInChI=1S/C18H27N3O4/c1-3-4-15(22)20-7-5-14(6-8-20)17-19-16(13(2)25-17)18(23)21-9-11-24-12-10-21/h14H,3-12H2,1-2H3
InChIKeyDFEPKUDBAUKOIR-UHFFFAOYSA-N
XLogP1.96
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]butan-1-one (CID 71837672) is 1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]butan-1-one is CCCC(=O)N1CCC(c2nc(C(=O)N3CCOCC3)c(C)o2)CC1.
What is the InChIKey of 1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]butan-1-one?
The InChIKey is DFEPKUDBAUKOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-3-4-15(22)20-7-5-14(6-8-20)17-19-16(13(2)25-17)18(23)21-9-11-24-12-10-21/h14H,3-12H2,1-2H3.
What are the key properties of 1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]butan-1-one?
1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]butan-1-one has a molecular weight of 349.43 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 71837672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).