5-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-2-fluorobenzamide

C16H11ClFN3O3 — CID 59402941

IUPAC5-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-2-fluorobenzamide
SMILESNC(=O)c1cc(OCc2nc(-c3ccc(Cl)cc3)no2)ccc1F
InChIInChI=1S/C16H11ClFN3O3/c17-10-3-1-9(2-4-10)16-20-14(24-21-16)8-23-11-5-6-13(18)12(7-11)15(19)22/h1-7H,8H2,(H2,19,22)
InChIKeyPJXZLWASDLVUEA-UHFFFAOYSA-N
MW347.73 g/mol
LogP3.21
Rot. Bonds5

About 5-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-2-fluorobenzamide

5-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-2-fluorobenzamide (PubChem CID 59402941) has the molecular formula C16H11ClFN3O3 and a molecular weight of 347.73 g/mol. Its IUPAC name is 5-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-2-fluorobenzamide.

Molecular Properties

Compound Name5-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-2-fluorobenzamide
PubChem CID59402941
Molecular FormulaC16H11ClFN3O3
Molecular Weight347.73 g/mol
Exact Mass347.05
IUPAC Name5-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-2-fluorobenzamide
SMILESNC(=O)c1cc(OCc2nc(-c3ccc(Cl)cc3)no2)ccc1F
InChIInChI=1S/C16H11ClFN3O3/c17-10-3-1-9(2-4-10)16-20-14(24-21-16)8-23-11-5-6-13(18)12(7-11)15(19)22/h1-7H,8H2,(H2,19,22)
InChIKeyPJXZLWASDLVUEA-UHFFFAOYSA-N
XLogP3.21
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.73
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-chloro-4-fluorobenzoate
CID 8520210
5-[(3-chlorophenoxy)methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 6461755
[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-chloro-2-fluorobenzoate
CID 8624911
3-(4-chlorophenyl)-5-[(4-nitrophenoxy)methyl]-1,2,4-oxadiazole
CID 3899279
[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-amino-5-chlorobenzoate
CID 16600204
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-fluoro-4-methoxybenzoate
CID 8509452
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 30026975
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl (E)-3-(3-fluorophenyl)prop-2-enoate
CID 8514984
(4-fluorophenyl)-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]methanone
CID 18192008
2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 20896118
[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-chloro-4,5-difluorobenzoate
CID 16528234
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(3-methylphenoxy)propanoate
CID 8521965

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-2-fluorobenzamide?
The IUPAC name of 5-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-2-fluorobenzamide (CID 59402941) is 5-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-2-fluorobenzamide.
What is the SMILES notation for 5-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-2-fluorobenzamide?
The canonical SMILES for 5-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-2-fluorobenzamide is NC(=O)c1cc(OCc2nc(-c3ccc(Cl)cc3)no2)ccc1F.
What is the InChIKey of 5-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-2-fluorobenzamide?
The InChIKey is PJXZLWASDLVUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3O3/c17-10-3-1-9(2-4-10)16-20-14(24-21-16)8-23-11-5-6-13(18)12(7-11)15(19)22/h1-7H,8H2,(H2,19,22).
What are the key properties of 5-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-2-fluorobenzamide?
5-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-2-fluorobenzamide has a molecular weight of 347.73 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-2-fluorobenzamide is sourced from PubChem (CID 59402941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).