5-(6-fluoroisoquinolin-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine

C13H11FN4O — CID 167762807

IUPAC5-(6-fluoroisoquinolin-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(-c2cc3cc(F)ccc3cn2)n1
InChIInChI=1S/C13H11FN4O/c1-18(2)13-16-12(19-17-13)11-6-9-5-10(14)4-3-8(9)7-15-11/h3-7H,1-2H3
InChIKeySIUPFAIVUWEHAV-UHFFFAOYSA-N
MW258.26 g/mol
LogP2.49
Rot. Bonds2

About 5-(6-fluoroisoquinolin-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine

5-(6-fluoroisoquinolin-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine (PubChem CID 167762807) has the molecular formula C13H11FN4O and a molecular weight of 258.26 g/mol. Its IUPAC name is 5-(6-fluoroisoquinolin-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(6-fluoroisoquinolin-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
PubChem CID167762807
Molecular FormulaC13H11FN4O
Molecular Weight258.26 g/mol
Exact Mass258.09
IUPAC Name5-(6-fluoroisoquinolin-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(-c2cc3cc(F)ccc3cn2)n1
InChIInChI=1S/C13H11FN4O/c1-18(2)13-16-12(19-17-13)11-6-9-5-10(14)4-3-8(9)7-15-11/h3-7H,1-2H3
InChIKeySIUPFAIVUWEHAV-UHFFFAOYSA-N
XLogP2.49
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoroisoquinolin-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(6-fluoroisoquinolin-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine (CID 167762807) is 5-(6-fluoroisoquinolin-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(6-fluoroisoquinolin-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(6-fluoroisoquinolin-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine is CN(C)c1noc(-c2cc3cc(F)ccc3cn2)n1.
What is the InChIKey of 5-(6-fluoroisoquinolin-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The InChIKey is SIUPFAIVUWEHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O/c1-18(2)13-16-12(19-17-13)11-6-9-5-10(14)4-3-8(9)7-15-11/h3-7H,1-2H3.
What are the key properties of 5-(6-fluoroisoquinolin-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
5-(6-fluoroisoquinolin-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine has a molecular weight of 258.26 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoroisoquinolin-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 167762807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).