5-[(3,4-difluorophenoxy)methyl]-N-methyl-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide

C16H16F2N2O4 — CID 24790480

IUPAC5-[(3,4-difluorophenoxy)methyl]-N-methyl-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide
SMILESCN(C(=O)c1cc(COc2ccc(F)c(F)c2)on1)C1CCOC1
InChIInChI=1S/C16H16F2N2O4/c1-20(10-4-5-22-8-10)16(21)15-7-12(24-19-15)9-23-11-2-3-13(17)14(18)6-11/h2-3,6-7,10H,4-5,8-9H2,1H3
InChIKeyMUKJWSUFGUSWIY-UHFFFAOYSA-N
MW338.31 g/mol
LogP2.39
Rot. Bonds5

About 5-[(3,4-difluorophenoxy)methyl]-N-methyl-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide

5-[(3,4-difluorophenoxy)methyl]-N-methyl-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide (PubChem CID 24790480) has the molecular formula C16H16F2N2O4 and a molecular weight of 338.31 g/mol. Its IUPAC name is 5-[(3,4-difluorophenoxy)methyl]-N-methyl-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3,4-difluorophenoxy)methyl]-N-methyl-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide
PubChem CID24790480
Molecular FormulaC16H16F2N2O4
Molecular Weight338.31 g/mol
Exact Mass338.11
IUPAC Name5-[(3,4-difluorophenoxy)methyl]-N-methyl-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide
SMILESCN(C(=O)c1cc(COc2ccc(F)c(F)c2)on1)C1CCOC1
InChIInChI=1S/C16H16F2N2O4/c1-20(10-4-5-22-8-10)16(21)15-7-12(24-19-15)9-23-11-2-3-13(17)14(18)6-11/h2-3,6-7,10H,4-5,8-9H2,1H3
InChIKeyMUKJWSUFGUSWIY-UHFFFAOYSA-N
XLogP2.39
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[(3,4-difluorophenoxy)methyl]-N-methyl-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide 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 5-[(3,4-difluorophenoxy)methyl]-N-methyl-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(3,4-difluorophenoxy)methyl]-N-methyl-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide (CID 24790480) is 5-[(3,4-difluorophenoxy)methyl]-N-methyl-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(3,4-difluorophenoxy)methyl]-N-methyl-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(3,4-difluorophenoxy)methyl]-N-methyl-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide is CN(C(=O)c1cc(COc2ccc(F)c(F)c2)on1)C1CCOC1.
What is the InChIKey of 5-[(3,4-difluorophenoxy)methyl]-N-methyl-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is MUKJWSUFGUSWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O4/c1-20(10-4-5-22-8-10)16(21)15-7-12(24-19-15)9-23-11-2-3-13(17)14(18)6-11/h2-3,6-7,10H,4-5,8-9H2,1H3.
What are the key properties of 5-[(3,4-difluorophenoxy)methyl]-N-methyl-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide?
5-[(3,4-difluorophenoxy)methyl]-N-methyl-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 338.31 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-difluorophenoxy)methyl]-N-methyl-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24790480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).