5,5-dimethyl-3-[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1,3-oxazinan-2-one

C16H23N3O4 — CID 74229472

IUPAC5,5-dimethyl-3-[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1,3-oxazinan-2-one
SMILESCc1oncc1C(=O)N1CCC(N2CC(C)(C)COC2=O)CC1
InChIInChI=1S/C16H23N3O4/c1-11-13(8-17-23-11)14(20)18-6-4-12(5-7-18)19-9-16(2,3)10-22-15(19)21/h8,12H,4-7,9-10H2,1-3H3
InChIKeyAJUFSRJUCZBBRW-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.07
Rot. Bonds2

About 5,5-dimethyl-3-[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1,3-oxazinan-2-one

5,5-dimethyl-3-[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1,3-oxazinan-2-one (PubChem CID 74229472) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is 5,5-dimethyl-3-[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name5,5-dimethyl-3-[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1,3-oxazinan-2-one
PubChem CID74229472
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name5,5-dimethyl-3-[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1,3-oxazinan-2-one
SMILESCc1oncc1C(=O)N1CCC(N2CC(C)(C)COC2=O)CC1
InChIInChI=1S/C16H23N3O4/c1-11-13(8-17-23-11)14(20)18-6-4-12(5-7-18)19-9-16(2,3)10-22-15(19)21/h8,12H,4-7,9-10H2,1-3H3
InChIKeyAJUFSRJUCZBBRW-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5,5-dimethyl-3-[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1,3-oxazinan-2-one 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 5,5-dimethyl-3-[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1,3-oxazinan-2-one?
The IUPAC name of 5,5-dimethyl-3-[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1,3-oxazinan-2-one (CID 74229472) is 5,5-dimethyl-3-[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1,3-oxazinan-2-one.
What is the SMILES notation for 5,5-dimethyl-3-[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1,3-oxazinan-2-one?
The canonical SMILES for 5,5-dimethyl-3-[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1,3-oxazinan-2-one is Cc1oncc1C(=O)N1CCC(N2CC(C)(C)COC2=O)CC1.
What is the InChIKey of 5,5-dimethyl-3-[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1,3-oxazinan-2-one?
The InChIKey is AJUFSRJUCZBBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-11-13(8-17-23-11)14(20)18-6-4-12(5-7-18)19-9-16(2,3)10-22-15(19)21/h8,12H,4-7,9-10H2,1-3H3.
What are the key properties of 5,5-dimethyl-3-[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1,3-oxazinan-2-one?
5,5-dimethyl-3-[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1,3-oxazinan-2-one has a molecular weight of 321.38 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1,3-oxazinan-2-one is sourced from PubChem (CID 74229472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).