3-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-fluorophenyl)-1,2,4-oxadiazol-5-one

C10H6FN5O3 — CID 175435329

IUPAC3-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-fluorophenyl)-1,2,4-oxadiazol-5-one
SMILESNc1nonc1-c1noc(=O)n1-c1cccc(F)c1
InChIInChI=1S/C10H6FN5O3/c11-5-2-1-3-6(4-5)16-9(15-18-10(16)17)7-8(12)14-19-13-7/h1-4H,(H2,12,14)
InChIKeyLMGWIPBWMQKPMV-UHFFFAOYSA-N
MW263.19 g/mol
LogP0.60
Rot. Bonds2

About 3-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-fluorophenyl)-1,2,4-oxadiazol-5-one

3-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-fluorophenyl)-1,2,4-oxadiazol-5-one (PubChem CID 175435329) has the molecular formula C10H6FN5O3 and a molecular weight of 263.19 g/mol. Its IUPAC name is 3-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-fluorophenyl)-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-fluorophenyl)-1,2,4-oxadiazol-5-one
PubChem CID175435329
Molecular FormulaC10H6FN5O3
Molecular Weight263.19 g/mol
Exact Mass263.05
IUPAC Name3-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-fluorophenyl)-1,2,4-oxadiazol-5-one
SMILESNc1nonc1-c1noc(=O)n1-c1cccc(F)c1
InChIInChI=1S/C10H6FN5O3/c11-5-2-1-3-6(4-5)16-9(15-18-10(16)17)7-8(12)14-19-13-7/h1-4H,(H2,12,14)
InChIKeyLMGWIPBWMQKPMV-UHFFFAOYSA-N
XLogP0.60
TPSA112.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.19
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-fluorophenyl)-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-fluorophenyl)-1,2,4-oxadiazol-5-one (CID 175435329) is 3-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-fluorophenyl)-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-fluorophenyl)-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-fluorophenyl)-1,2,4-oxadiazol-5-one is Nc1nonc1-c1noc(=O)n1-c1cccc(F)c1.
What is the InChIKey of 3-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-fluorophenyl)-1,2,4-oxadiazol-5-one?
The InChIKey is LMGWIPBWMQKPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN5O3/c11-5-2-1-3-6(4-5)16-9(15-18-10(16)17)7-8(12)14-19-13-7/h1-4H,(H2,12,14).
What are the key properties of 3-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-fluorophenyl)-1,2,4-oxadiazol-5-one?
3-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-fluorophenyl)-1,2,4-oxadiazol-5-one has a molecular weight of 263.19 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-fluorophenyl)-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 175435329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).