5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(2-phenoxyethyl)-1,2-oxazole-3-carboxamide

C20H18F2N2O4 — CID 24793004

IUPAC5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(2-phenoxyethyl)-1,2-oxazole-3-carboxamide
SMILESCN(CCOc1ccccc1)C(=O)c1cc(COc2c(F)cccc2F)on1
InChIInChI=1S/C20H18F2N2O4/c1-24(10-11-26-14-6-3-2-4-7-14)20(25)18-12-15(28-23-18)13-27-19-16(21)8-5-9-17(19)22/h2-9,12H,10-11,13H2,1H3
InChIKeyQWWXLSDKOFHUAD-UHFFFAOYSA-N
MW388.37 g/mol
LogP3.68
Rot. Bonds8

About 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(2-phenoxyethyl)-1,2-oxazole-3-carboxamide

5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(2-phenoxyethyl)-1,2-oxazole-3-carboxamide (PubChem CID 24793004) has the molecular formula C20H18F2N2O4 and a molecular weight of 388.37 g/mol. Its IUPAC name is 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(2-phenoxyethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(2-phenoxyethyl)-1,2-oxazole-3-carboxamide
PubChem CID24793004
Molecular FormulaC20H18F2N2O4
Molecular Weight388.37 g/mol
Exact Mass388.12
IUPAC Name5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(2-phenoxyethyl)-1,2-oxazole-3-carboxamide
SMILESCN(CCOc1ccccc1)C(=O)c1cc(COc2c(F)cccc2F)on1
InChIInChI=1S/C20H18F2N2O4/c1-24(10-11-26-14-6-3-2-4-7-14)20(25)18-12-15(28-23-18)13-27-19-16(21)8-5-9-17(19)22/h2-9,12H,10-11,13H2,1H3
InChIKeyQWWXLSDKOFHUAD-UHFFFAOYSA-N
XLogP3.68
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(2-phenoxyethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(2-phenoxyethyl)-1,2-oxazole-3-carboxamide (CID 24793004) is 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(2-phenoxyethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(2-phenoxyethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(2-phenoxyethyl)-1,2-oxazole-3-carboxamide is CN(CCOc1ccccc1)C(=O)c1cc(COc2c(F)cccc2F)on1.
What is the InChIKey of 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(2-phenoxyethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is QWWXLSDKOFHUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O4/c1-24(10-11-26-14-6-3-2-4-7-14)20(25)18-12-15(28-23-18)13-27-19-16(21)8-5-9-17(19)22/h2-9,12H,10-11,13H2,1H3.
What are the key properties of 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(2-phenoxyethyl)-1,2-oxazole-3-carboxamide?
5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(2-phenoxyethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 388.37 g/mol, XLogP of 3.68, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(2-phenoxyethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24793004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).