N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethyl]-2,3-dimethoxybenzamide

C20H25F2N3O4 — CID 118289511

IUPACN-[2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCC(c2ocnc2C)N2CCC(F)(F)CC2)c1OC
InChIInChI=1S/C20H25F2N3O4/c1-13-17(29-12-24-13)15(25-9-7-20(21,22)8-10-25)11-23-19(26)14-5-4-6-16(27-2)18(14)28-3/h4-6,12,15H,7-11H2,1-3H3,(H,23,26)
InChIKeyWCRWOZLMWACTJF-UHFFFAOYSA-N
MW409.43 g/mol
LogP3.20
Rot. Bonds7

About N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethyl]-2,3-dimethoxybenzamide

N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethyl]-2,3-dimethoxybenzamide (PubChem CID 118289511) has the molecular formula C20H25F2N3O4 and a molecular weight of 409.43 g/mol. Its IUPAC name is N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethyl]-2,3-dimethoxybenzamide
PubChem CID118289511
Molecular FormulaC20H25F2N3O4
Molecular Weight409.43 g/mol
Exact Mass409.18
IUPAC NameN-[2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCC(c2ocnc2C)N2CCC(F)(F)CC2)c1OC
InChIInChI=1S/C20H25F2N3O4/c1-13-17(29-12-24-13)15(25-9-7-20(21,22)8-10-25)11-23-19(26)14-5-4-6-16(27-2)18(14)28-3/h4-6,12,15H,7-11H2,1-3H3,(H,23,26)
InChIKeyWCRWOZLMWACTJF-UHFFFAOYSA-N
XLogP3.20
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethyl]-2,3-dimethoxybenzamide 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 N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethyl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethyl]-2,3-dimethoxybenzamide (CID 118289511) is N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethyl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethyl]-2,3-dimethoxybenzamide is COc1cccc(C(=O)NCC(c2ocnc2C)N2CCC(F)(F)CC2)c1OC.
What is the InChIKey of N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethyl]-2,3-dimethoxybenzamide?
The InChIKey is WCRWOZLMWACTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N3O4/c1-13-17(29-12-24-13)15(25-9-7-20(21,22)8-10-25)11-23-19(26)14-5-4-6-16(27-2)18(14)28-3/h4-6,12,15H,7-11H2,1-3H3,(H,23,26).
What are the key properties of N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethyl]-2,3-dimethoxybenzamide?
N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethyl]-2,3-dimethoxybenzamide has a molecular weight of 409.43 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,4-difluoropiperidin-1-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethyl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 118289511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).