5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-1,2-oxazole-3-carboxamide

C19H22F2N2O4 — CID 24817827

IUPAC5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCN(CCC1CCOCC1)C(=O)c1cc(COc2c(F)cccc2F)on1
InChIInChI=1S/C19H22F2N2O4/c1-23(8-5-13-6-9-25-10-7-13)19(24)17-11-14(27-22-17)12-26-18-15(20)3-2-4-16(18)21/h2-4,11,13H,5-10,12H2,1H3
InChIKeyDXCCIAQSZJUOBW-UHFFFAOYSA-N
MW380.39 g/mol
LogP3.42
Rot. Bonds7

About 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-1,2-oxazole-3-carboxamide

5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 24817827) has the molecular formula C19H22F2N2O4 and a molecular weight of 380.39 g/mol. Its IUPAC name is 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID24817827
Molecular FormulaC19H22F2N2O4
Molecular Weight380.39 g/mol
Exact Mass380.15
IUPAC Name5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCN(CCC1CCOCC1)C(=O)c1cc(COc2c(F)cccc2F)on1
InChIInChI=1S/C19H22F2N2O4/c1-23(8-5-13-6-9-25-10-7-13)19(24)17-11-14(27-22-17)12-26-18-15(20)3-2-4-16(18)21/h2-4,11,13H,5-10,12H2,1H3
InChIKeyDXCCIAQSZJUOBW-UHFFFAOYSA-N
XLogP3.42
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 53.42
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-(oxan-4-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 24817827) is 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-1,2-oxazole-3-carboxamide is CN(CCC1CCOCC1)C(=O)c1cc(COc2c(F)cccc2F)on1.
What is the InChIKey of 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is DXCCIAQSZJUOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O4/c1-23(8-5-13-6-9-25-10-7-13)19(24)17-11-14(27-22-17)12-26-18-15(20)3-2-4-16(18)21/h2-4,11,13H,5-10,12H2,1H3.
What are the key properties of 5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-1,2-oxazole-3-carboxamide?
5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 380.39 g/mol, XLogP of 3.42, 7 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-(oxan-4-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24817827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).