2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-6-fluorobenzamide

C13H12FN3O3 — CID 86790986

IUPAC2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-6-fluorobenzamide
SMILESNC(=O)c1c(F)cccc1OCc1noc(C2CC2)n1
InChIInChI=1S/C13H12FN3O3/c14-8-2-1-3-9(11(8)12(15)18)19-6-10-16-13(20-17-10)7-4-5-7/h1-3,7H,4-6H2,(H2,15,18)
InChIKeyWGZMPRXFDJESJM-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.76
Rot. Bonds5

About 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-6-fluorobenzamide

2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-6-fluorobenzamide (PubChem CID 86790986) has the molecular formula C13H12FN3O3 and a molecular weight of 277.25 g/mol. Its IUPAC name is 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-6-fluorobenzamide.

Molecular Properties

Compound Name2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-6-fluorobenzamide
PubChem CID86790986
Molecular FormulaC13H12FN3O3
Molecular Weight277.25 g/mol
Exact Mass277.09
IUPAC Name2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-6-fluorobenzamide
SMILESNC(=O)c1c(F)cccc1OCc1noc(C2CC2)n1
InChIInChI=1S/C13H12FN3O3/c14-8-2-1-3-9(11(8)12(15)18)19-6-10-16-13(20-17-10)7-4-5-7/h1-3,7H,4-6H2,(H2,15,18)
InChIKeyWGZMPRXFDJESJM-UHFFFAOYSA-N
XLogP1.76
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-6-fluorobenzamide?
The IUPAC name of 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-6-fluorobenzamide (CID 86790986) is 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-6-fluorobenzamide.
What is the SMILES notation for 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-6-fluorobenzamide?
The canonical SMILES for 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-6-fluorobenzamide is NC(=O)c1c(F)cccc1OCc1noc(C2CC2)n1.
What is the InChIKey of 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-6-fluorobenzamide?
The InChIKey is WGZMPRXFDJESJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O3/c14-8-2-1-3-9(11(8)12(15)18)19-6-10-16-13(20-17-10)7-4-5-7/h1-3,7H,4-6H2,(H2,15,18).
What are the key properties of 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-6-fluorobenzamide?
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-6-fluorobenzamide has a molecular weight of 277.25 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-6-fluorobenzamide is sourced from PubChem (CID 86790986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).