4-fluoro-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol

C17H10FN3O2 — CID 135429375

IUPAC4-fluoro-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol
SMILESOc1ccc(F)cc1-c1nc(-c2nccc3ccccc23)no1
InChIInChI=1S/C17H10FN3O2/c18-11-5-6-14(22)13(9-11)17-20-16(21-23-17)15-12-4-2-1-3-10(12)7-8-19-15/h1-9,22H
InChIKeyMVCUKFSNEXHXRA-UHFFFAOYSA-N
MW307.28 g/mol
LogP3.80
Rot. Bonds2

About 4-fluoro-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol

4-fluoro-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol (PubChem CID 135429375) has the molecular formula C17H10FN3O2 and a molecular weight of 307.28 g/mol. Its IUPAC name is 4-fluoro-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol.

Molecular Properties

Compound Name4-fluoro-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol
PubChem CID135429375
Molecular FormulaC17H10FN3O2
Molecular Weight307.28 g/mol
Exact Mass307.08
IUPAC Name4-fluoro-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol
SMILESOc1ccc(F)cc1-c1nc(-c2nccc3ccccc23)no1
InChIInChI=1S/C17H10FN3O2/c18-11-5-6-14(22)13(9-11)17-20-16(21-23-17)15-12-4-2-1-3-10(12)7-8-19-15/h1-9,22H
InChIKeyMVCUKFSNEXHXRA-UHFFFAOYSA-N
XLogP3.80
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-[5-[(4-Fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1,6-naphthyridin-8-ol
CID 135496164
2-[5-(2-Methoxyphenyl)-1,2,4-oxadiazol-3-YL]pyridine
CID 912656
7-(5-Phenyl-1,2,4-oxadiazol-3-yl)-1,6-naphthyridin-8-ol
CID 135869504
1-[5-(2,5-Dimethoxy-phenyl)-[1,2,4]oxadiazol-3-yl]-isoquinoline
CID 11232865
2-[5-(2-Methoxy-naphthalen-1-yl)-[1,2,4]oxadiazol-3-yl]-pyridine
CID 15956942
5-(2-Methoxy-1-naphthyl)-3-(3-methyl-2-pyridyl)-1,2,4-oxadiazole
CID 15956977
1-[5-(3-Methoxy-phenyl)-[1,2,4]oxadiazol-3-yl]-isoquinoline
CID 15956988
1-(5-Naphthalen-1-yl-[1,2,4]oxadiazol-3-yl)-isoquinoline
CID 15956990
1-[5-(2-Methoxy-naphthalen-1-yl)-[1,2,4]oxadiazol-3-yl]-isoquinoline
CID 15956993
2-[3-(1-Isoquinolyl)-1,2,4-oxadiazol-5-yl]-4-methoxy-phenol
CID 135409773
3-(Pyridin-2-yl)-5-(5-chloro-2-hydroxyphenyl)-1,2,4-oxadiazole
CID 135418332
3-(Pyrid-2-yl)-5-(2-hydroxyphenyl)-1,2,4-oxadiazole
CID 135429337

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol?
The IUPAC name of 4-fluoro-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol (CID 135429375) is 4-fluoro-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol.
What is the SMILES notation for 4-fluoro-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol?
The canonical SMILES for 4-fluoro-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol is Oc1ccc(F)cc1-c1nc(-c2nccc3ccccc23)no1.
What is the InChIKey of 4-fluoro-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol?
The InChIKey is MVCUKFSNEXHXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FN3O2/c18-11-5-6-14(22)13(9-11)17-20-16(21-23-17)15-12-4-2-1-3-10(12)7-8-19-15/h1-9,22H.
What are the key properties of 4-fluoro-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol?
4-fluoro-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol has a molecular weight of 307.28 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol is sourced from PubChem (CID 135429375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).