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

C16H23N3O4 — CID 53168422

IUPAC1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nc(C(=O)N3CCOCC3)c(C)o2)CC1
InChIInChI=1S/C16H23N3O4/c1-11-14(16(21)19-7-9-22-10-8-19)17-15(23-11)13-3-5-18(6-4-13)12(2)20/h13H,3-10H2,1-2H3
InChIKeyPLQULQPJBDLNFD-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.18
Rot. Bonds2

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

1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 53168422) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
PubChem CID53168422
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nc(C(=O)N3CCOCC3)c(C)o2)CC1
InChIInChI=1S/C16H23N3O4/c1-11-14(16(21)19-7-9-22-10-8-19)17-15(23-11)13-3-5-18(6-4-13)12(2)20/h13H,3-10H2,1-2H3
InChIKeyPLQULQPJBDLNFD-UHFFFAOYSA-N
XLogP1.18
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.18
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]ethanone?
The IUPAC name of 1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone (CID 53168422) is 1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone is CC(=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]ethanone?
The InChIKey is PLQULQPJBDLNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-11-14(16(21)19-7-9-22-10-8-19)17-15(23-11)13-3-5-18(6-4-13)12(2)20/h13H,3-10H2,1-2H3.
What are the key properties of 1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?
1-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 321.38 g/mol, XLogP of 1.18, 2 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]ethanone is sourced from PubChem (CID 53168422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).