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

C17H10BrN3O2 — CID 135429377

IUPAC4-bromo-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol
SMILESOc1ccc(Br)cc1-c1nc(-c2nccc3ccccc23)no1
InChIInChI=1S/C17H10BrN3O2/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
InChIKeyRKDGXHPNENKAOQ-UHFFFAOYSA-N
MW368.19 g/mol
LogP4.42
Rot. Bonds2

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

4-bromo-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol (PubChem CID 135429377) has the molecular formula C17H10BrN3O2 and a molecular weight of 368.19 g/mol. Its IUPAC name is 4-bromo-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol.

Molecular Properties

Compound Name4-bromo-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol
PubChem CID135429377
Molecular FormulaC17H10BrN3O2
Molecular Weight368.19 g/mol
Exact Mass367.00
IUPAC Name4-bromo-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol
SMILESOc1ccc(Br)cc1-c1nc(-c2nccc3ccccc23)no1
InChIInChI=1S/C17H10BrN3O2/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
InChIKeyRKDGXHPNENKAOQ-UHFFFAOYSA-N
XLogP4.42
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.19
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol?
The IUPAC name of 4-bromo-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol (CID 135429377) is 4-bromo-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol.
What is the SMILES notation for 4-bromo-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol?
The canonical SMILES for 4-bromo-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol is Oc1ccc(Br)cc1-c1nc(-c2nccc3ccccc23)no1.
What is the InChIKey of 4-bromo-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol?
The InChIKey is RKDGXHPNENKAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrN3O2/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-bromo-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol?
4-bromo-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol has a molecular weight of 368.19 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol is sourced from PubChem (CID 135429377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).