2-[(2,3-difluorophenoxy)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-1,3-oxazole-4-carboxamide

C20H18F2N2O4 — CID 42297339

IUPAC2-[(2,3-difluorophenoxy)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-1,3-oxazole-4-carboxamide
SMILESCOc1ccccc1CN(C)C(=O)c1coc(COc2cccc(F)c2F)n1
InChIInChI=1S/C20H18F2N2O4/c1-24(10-13-6-3-4-8-16(13)26-2)20(25)15-11-28-18(23-15)12-27-17-9-5-7-14(21)19(17)22/h3-9,11H,10,12H2,1-2H3
InChIKeyFYBDEQORYULWRK-UHFFFAOYSA-N
MW388.37 g/mol
LogP3.81
Rot. Bonds7

About 2-[(2,3-difluorophenoxy)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-1,3-oxazole-4-carboxamide

2-[(2,3-difluorophenoxy)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-1,3-oxazole-4-carboxamide (PubChem CID 42297339) has the molecular formula C20H18F2N2O4 and a molecular weight of 388.37 g/mol. Its IUPAC name is 2-[(2,3-difluorophenoxy)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2,3-difluorophenoxy)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-1,3-oxazole-4-carboxamide
PubChem CID42297339
Molecular FormulaC20H18F2N2O4
Molecular Weight388.37 g/mol
Exact Mass388.12
IUPAC Name2-[(2,3-difluorophenoxy)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-1,3-oxazole-4-carboxamide
SMILESCOc1ccccc1CN(C)C(=O)c1coc(COc2cccc(F)c2F)n1
InChIInChI=1S/C20H18F2N2O4/c1-24(10-13-6-3-4-8-16(13)26-2)20(25)15-11-28-18(23-15)12-27-17-9-5-7-14(21)19(17)22/h3-9,11H,10,12H2,1-2H3
InChIKeyFYBDEQORYULWRK-UHFFFAOYSA-N
XLogP3.81
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-difluorophenoxy)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[(2,3-difluorophenoxy)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-1,3-oxazole-4-carboxamide (CID 42297339) is 2-[(2,3-difluorophenoxy)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[(2,3-difluorophenoxy)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[(2,3-difluorophenoxy)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-1,3-oxazole-4-carboxamide is COc1ccccc1CN(C)C(=O)c1coc(COc2cccc(F)c2F)n1.
What is the InChIKey of 2-[(2,3-difluorophenoxy)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is FYBDEQORYULWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O4/c1-24(10-13-6-3-4-8-16(13)26-2)20(25)15-11-28-18(23-15)12-27-17-9-5-7-14(21)19(17)22/h3-9,11H,10,12H2,1-2H3.
What are the key properties of 2-[(2,3-difluorophenoxy)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-1,3-oxazole-4-carboxamide?
2-[(2,3-difluorophenoxy)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 388.37 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-difluorophenoxy)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42297339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).