4-[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazole-3-carbonyl]-3,3-dimethylpiperazin-2-one

C17H17F2N3O4 — CID 42095602

IUPAC4-[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazole-3-carbonyl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)c1cc(COc2ccc(F)cc2F)on1
InChIInChI=1S/C17H17F2N3O4/c1-17(2)16(24)20-5-6-22(17)15(23)13-8-11(26-21-13)9-25-14-4-3-10(18)7-12(14)19/h3-4,7-8H,5-6,9H2,1-2H3,(H,20,24)
InChIKeyJWNZGJPZMLGCDH-UHFFFAOYSA-N
MW365.34 g/mol
LogP1.88
Rot. Bonds4

About 4-[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazole-3-carbonyl]-3,3-dimethylpiperazin-2-one

4-[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazole-3-carbonyl]-3,3-dimethylpiperazin-2-one (PubChem CID 42095602) has the molecular formula C17H17F2N3O4 and a molecular weight of 365.34 g/mol. Its IUPAC name is 4-[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazole-3-carbonyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazole-3-carbonyl]-3,3-dimethylpiperazin-2-one
PubChem CID42095602
Molecular FormulaC17H17F2N3O4
Molecular Weight365.34 g/mol
Exact Mass365.12
IUPAC Name4-[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazole-3-carbonyl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)c1cc(COc2ccc(F)cc2F)on1
InChIInChI=1S/C17H17F2N3O4/c1-17(2)16(24)20-5-6-22(17)15(23)13-8-11(26-21-13)9-25-14-4-3-10(18)7-12(14)19/h3-4,7-8H,5-6,9H2,1-2H3,(H,20,24)
InChIKeyJWNZGJPZMLGCDH-UHFFFAOYSA-N
XLogP1.88
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazole-3-carbonyl]-3,3-dimethylpiperazin-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-[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazole-3-carbonyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazole-3-carbonyl]-3,3-dimethylpiperazin-2-one (CID 42095602) is 4-[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazole-3-carbonyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazole-3-carbonyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazole-3-carbonyl]-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1C(=O)c1cc(COc2ccc(F)cc2F)on1.
What is the InChIKey of 4-[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazole-3-carbonyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is JWNZGJPZMLGCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O4/c1-17(2)16(24)20-5-6-22(17)15(23)13-8-11(26-21-13)9-25-14-4-3-10(18)7-12(14)19/h3-4,7-8H,5-6,9H2,1-2H3,(H,20,24).
What are the key properties of 4-[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazole-3-carbonyl]-3,3-dimethylpiperazin-2-one?
4-[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazole-3-carbonyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 365.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazole-3-carbonyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 42095602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).