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

C19H17F2N3O4 — CID 24791344

IUPAC5-[(2,6-difluorophenoxy)methyl]-N-(2-pyridin-3-yloxypropyl)-1,2-oxazole-3-carboxamide
SMILESCC(CNC(=O)c1cc(COc2c(F)cccc2F)on1)Oc1cccnc1
InChIInChI=1S/C19H17F2N3O4/c1-12(27-13-4-3-7-22-10-13)9-23-19(25)17-8-14(28-24-17)11-26-18-15(20)5-2-6-16(18)21/h2-8,10,12H,9,11H2,1H3,(H,23,25)
InChIKeyLUECQXOWKIHJRI-UHFFFAOYSA-N
MW389.36 g/mol
LogP3.12
Rot. Bonds8

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

5-[(2,6-difluorophenoxy)methyl]-N-(2-pyridin-3-yloxypropyl)-1,2-oxazole-3-carboxamide (PubChem CID 24791344) has the molecular formula C19H17F2N3O4 and a molecular weight of 389.36 g/mol. Its IUPAC name is 5-[(2,6-difluorophenoxy)methyl]-N-(2-pyridin-3-yloxypropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2,6-difluorophenoxy)methyl]-N-(2-pyridin-3-yloxypropyl)-1,2-oxazole-3-carboxamide
PubChem CID24791344
Molecular FormulaC19H17F2N3O4
Molecular Weight389.36 g/mol
Exact Mass389.12
IUPAC Name5-[(2,6-difluorophenoxy)methyl]-N-(2-pyridin-3-yloxypropyl)-1,2-oxazole-3-carboxamide
SMILESCC(CNC(=O)c1cc(COc2c(F)cccc2F)on1)Oc1cccnc1
InChIInChI=1S/C19H17F2N3O4/c1-12(27-13-4-3-7-22-10-13)9-23-19(25)17-8-14(28-24-17)11-26-18-15(20)5-2-6-16(18)21/h2-8,10,12H,9,11H2,1H3,(H,23,25)
InChIKeyLUECQXOWKIHJRI-UHFFFAOYSA-N
XLogP3.12
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-difluorophenoxy)methyl]-N-(2-pyridin-3-yloxypropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(2,6-difluorophenoxy)methyl]-N-(2-pyridin-3-yloxypropyl)-1,2-oxazole-3-carboxamide (CID 24791344) is 5-[(2,6-difluorophenoxy)methyl]-N-(2-pyridin-3-yloxypropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(2,6-difluorophenoxy)methyl]-N-(2-pyridin-3-yloxypropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(2,6-difluorophenoxy)methyl]-N-(2-pyridin-3-yloxypropyl)-1,2-oxazole-3-carboxamide is CC(CNC(=O)c1cc(COc2c(F)cccc2F)on1)Oc1cccnc1.
What is the InChIKey of 5-[(2,6-difluorophenoxy)methyl]-N-(2-pyridin-3-yloxypropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is LUECQXOWKIHJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O4/c1-12(27-13-4-3-7-22-10-13)9-23-19(25)17-8-14(28-24-17)11-26-18-15(20)5-2-6-16(18)21/h2-8,10,12H,9,11H2,1H3,(H,23,25).
What are the key properties of 5-[(2,6-difluorophenoxy)methyl]-N-(2-pyridin-3-yloxypropyl)-1,2-oxazole-3-carboxamide?
5-[(2,6-difluorophenoxy)methyl]-N-(2-pyridin-3-yloxypropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 389.36 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-difluorophenoxy)methyl]-N-(2-pyridin-3-yloxypropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24791344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).