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

C14H19N3O4 — CID 23736486

IUPAC4,4-dimethyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC1(C)COC(=O)N1C1CCN(C(=O)c2ccno2)CC1
InChIInChI=1S/C14H19N3O4/c1-14(2)9-20-13(19)17(14)10-4-7-16(8-5-10)12(18)11-3-6-15-21-11/h3,6,10H,4-5,7-9H2,1-2H3
InChIKeyUKJDLKOQRGKXRZ-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.51
Rot. Bonds2

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

4,4-dimethyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 23736486) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4,4-dimethyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4,4-dimethyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID23736486
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name4,4-dimethyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC1(C)COC(=O)N1C1CCN(C(=O)c2ccno2)CC1
InChIInChI=1S/C14H19N3O4/c1-14(2)9-20-13(19)17(14)10-4-7-16(8-5-10)12(18)11-3-6-15-21-11/h3,6,10H,4-5,7-9H2,1-2H3
InChIKeyUKJDLKOQRGKXRZ-UHFFFAOYSA-N
XLogP1.51
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4,4-dimethyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-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 4,4-dimethyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 4,4-dimethyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one (CID 23736486) is 4,4-dimethyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4,4-dimethyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4,4-dimethyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one is CC1(C)COC(=O)N1C1CCN(C(=O)c2ccno2)CC1.
What is the InChIKey of 4,4-dimethyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is UKJDLKOQRGKXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-14(2)9-20-13(19)17(14)10-4-7-16(8-5-10)12(18)11-3-6-15-21-11/h3,6,10H,4-5,7-9H2,1-2H3.
What are the key properties of 4,4-dimethyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
4,4-dimethyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 293.32 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 23736486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).