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

C16H16F2N2O4 — CID 24794232

IUPAC5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide
SMILESCN(C(=O)c1cc(COc2c(F)cccc2F)on1)C1CCOC1
InChIInChI=1S/C16H16F2N2O4/c1-20(10-5-6-22-8-10)16(21)14-7-11(24-19-14)9-23-15-12(17)3-2-4-13(15)18/h2-4,7,10H,5-6,8-9H2,1H3
InChIKeyUVOSCTWWKYISIW-UHFFFAOYSA-N
MW338.31 g/mol
LogP2.39
Rot. Bonds5

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

5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide (PubChem CID 24794232) has the molecular formula C16H16F2N2O4 and a molecular weight of 338.31 g/mol. Its IUPAC name is 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide
PubChem CID24794232
Molecular FormulaC16H16F2N2O4
Molecular Weight338.31 g/mol
Exact Mass338.11
IUPAC Name5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide
SMILESCN(C(=O)c1cc(COc2c(F)cccc2F)on1)C1CCOC1
InChIInChI=1S/C16H16F2N2O4/c1-20(10-5-6-22-8-10)16(21)14-7-11(24-19-14)9-23-15-12(17)3-2-4-13(15)18/h2-4,7,10H,5-6,8-9H2,1H3
InChIKeyUVOSCTWWKYISIW-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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide (CID 24794232) is 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide is CN(C(=O)c1cc(COc2c(F)cccc2F)on1)C1CCOC1.
What is the InChIKey of 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is UVOSCTWWKYISIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O4/c1-20(10-5-6-22-8-10)16(21)14-7-11(24-19-14)9-23-15-12(17)3-2-4-13(15)18/h2-4,7,10H,5-6,8-9H2,1H3.
What are the key properties of 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide?
5-[(2,6-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-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24794232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).