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

C17H18F2N2O4 — CID 24817505

IUPAC5-[(2,4-difluorophenoxy)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCOCC1)c1cc(COc2ccc(F)cc2F)on1
InChIInChI=1S/C17H18F2N2O4/c18-12-1-2-16(14(19)7-12)24-10-13-8-15(21-25-13)17(22)20-9-11-3-5-23-6-4-11/h1-2,7-8,11H,3-6,9-10H2,(H,20,22)
InChIKeyURGUMGCXFXJNOB-UHFFFAOYSA-N
MW352.34 g/mol
LogP2.69
Rot. Bonds6

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

5-[(2,4-difluorophenoxy)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 24817505) has the molecular formula C17H18F2N2O4 and a molecular weight of 352.34 g/mol. Its IUPAC name is 5-[(2,4-difluorophenoxy)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2,4-difluorophenoxy)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID24817505
Molecular FormulaC17H18F2N2O4
Molecular Weight352.34 g/mol
Exact Mass352.12
IUPAC Name5-[(2,4-difluorophenoxy)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCOCC1)c1cc(COc2ccc(F)cc2F)on1
InChIInChI=1S/C17H18F2N2O4/c18-12-1-2-16(14(19)7-12)24-10-13-8-15(21-25-13)17(22)20-9-11-3-5-23-6-4-11/h1-2,7-8,11H,3-6,9-10H2,(H,20,22)
InChIKeyURGUMGCXFXJNOB-UHFFFAOYSA-N
XLogP2.69
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 52.69
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-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(2,4-difluorophenoxy)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide (CID 24817505) is 5-[(2,4-difluorophenoxy)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(2,4-difluorophenoxy)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(2,4-difluorophenoxy)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide is O=C(NCC1CCOCC1)c1cc(COc2ccc(F)cc2F)on1.
What is the InChIKey of 5-[(2,4-difluorophenoxy)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is URGUMGCXFXJNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O4/c18-12-1-2-16(14(19)7-12)24-10-13-8-15(21-25-13)17(22)20-9-11-3-5-23-6-4-11/h1-2,7-8,11H,3-6,9-10H2,(H,20,22).
What are the key properties of 5-[(2,4-difluorophenoxy)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide?
5-[(2,4-difluorophenoxy)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 352.34 g/mol, XLogP of 2.69, 6 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-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24817505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).