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

C19H17F2N3O3 — CID 24790118

IUPAC5-[(2,4-difluorophenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCC(Cc1cccnc1)NC(=O)c1cc(COc2ccc(F)cc2F)on1
InChIInChI=1S/C19H17F2N3O3/c1-12(7-13-3-2-6-22-10-13)23-19(25)17-9-15(27-24-17)11-26-18-5-4-14(20)8-16(18)21/h2-6,8-10,12H,7,11H2,1H3,(H,23,25)
InChIKeyPCYOPDJGNZKYNT-UHFFFAOYSA-N
MW373.36 g/mol
LogP3.29
Rot. Bonds7

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

5-[(2,4-difluorophenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 24790118) has the molecular formula C19H17F2N3O3 and a molecular weight of 373.36 g/mol. Its IUPAC name is 5-[(2,4-difluorophenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2,4-difluorophenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID24790118
Molecular FormulaC19H17F2N3O3
Molecular Weight373.36 g/mol
Exact Mass373.12
IUPAC Name5-[(2,4-difluorophenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCC(Cc1cccnc1)NC(=O)c1cc(COc2ccc(F)cc2F)on1
InChIInChI=1S/C19H17F2N3O3/c1-12(7-13-3-2-6-22-10-13)23-19(25)17-9-15(27-24-17)11-26-18-5-4-14(20)8-16(18)21/h2-6,8-10,12H,7,11H2,1H3,(H,23,25)
InChIKeyPCYOPDJGNZKYNT-UHFFFAOYSA-N
XLogP3.29
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-difluorophenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(2,4-difluorophenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide (CID 24790118) is 5-[(2,4-difluorophenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(2,4-difluorophenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(2,4-difluorophenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide is CC(Cc1cccnc1)NC(=O)c1cc(COc2ccc(F)cc2F)on1.
What is the InChIKey of 5-[(2,4-difluorophenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is PCYOPDJGNZKYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O3/c1-12(7-13-3-2-6-22-10-13)23-19(25)17-9-15(27-24-17)11-26-18-5-4-14(20)8-16(18)21/h2-6,8-10,12H,7,11H2,1H3,(H,23,25).
What are the key properties of 5-[(2,4-difluorophenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide?
5-[(2,4-difluorophenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 373.36 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-difluorophenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24790118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).