N-(2,4-difluorophenyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide

C17H13F2N3O3 — CID 32738964

IUPACN-(2,4-difluorophenyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
SMILESCc1nc(COc2ccc(C(=O)Nc3ccc(F)cc3F)cc2)no1
InChIInChI=1S/C17H13F2N3O3/c1-10-20-16(22-25-10)9-24-13-5-2-11(3-6-13)17(23)21-15-7-4-12(18)8-14(15)19/h2-8H,9H2,1H3,(H,21,23)
InChIKeyVUQYFJKYVAZOHJ-UHFFFAOYSA-N
MW345.31 g/mol
LogP3.49
Rot. Bonds5

About N-(2,4-difluorophenyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide

N-(2,4-difluorophenyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide (PubChem CID 32738964) has the molecular formula C17H13F2N3O3 and a molecular weight of 345.31 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
PubChem CID32738964
Molecular FormulaC17H13F2N3O3
Molecular Weight345.31 g/mol
Exact Mass345.09
IUPAC NameN-(2,4-difluorophenyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
SMILESCc1nc(COc2ccc(C(=O)Nc3ccc(F)cc3F)cc2)no1
InChIInChI=1S/C17H13F2N3O3/c1-10-20-16(22-25-10)9-24-13-5-2-11(3-6-13)17(23)21-15-7-4-12(18)8-14(15)19/h2-8H,9H2,1H3,(H,21,23)
InChIKeyVUQYFJKYVAZOHJ-UHFFFAOYSA-N
XLogP3.49
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide (CID 32738964) is N-(2,4-difluorophenyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide is Cc1nc(COc2ccc(C(=O)Nc3ccc(F)cc3F)cc2)no1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
The InChIKey is VUQYFJKYVAZOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O3/c1-10-20-16(22-25-10)9-24-13-5-2-11(3-6-13)17(23)21-15-7-4-12(18)8-14(15)19/h2-8H,9H2,1H3,(H,21,23).
What are the key properties of N-(2,4-difluorophenyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
N-(2,4-difluorophenyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide has a molecular weight of 345.31 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide is sourced from PubChem (CID 32738964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).