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

C19H16N4O2 — CID 135429376

IUPAC5-(dimethylamino)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol
SMILESCN(C)c1ccc(-c2nc(-c3nccc4ccccc34)no2)c(O)c1
InChIInChI=1S/C19H16N4O2/c1-23(2)13-7-8-15(16(24)11-13)19-21-18(22-25-19)17-14-6-4-3-5-12(14)9-10-20-17/h3-11,24H,1-2H3
InChIKeyHJXSANGFZHCGBP-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.72
Rot. Bonds3

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

5-(dimethylamino)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol (PubChem CID 135429376) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 5-(dimethylamino)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol.

Molecular Properties

Compound Name5-(dimethylamino)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol
PubChem CID135429376
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name5-(dimethylamino)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol
SMILESCN(C)c1ccc(-c2nc(-c3nccc4ccccc34)no2)c(O)c1
InChIInChI=1S/C19H16N4O2/c1-23(2)13-7-8-15(16(24)11-13)19-21-18(22-25-19)17-14-6-4-3-5-12(14)9-10-20-17/h3-11,24H,1-2H3
InChIKeyHJXSANGFZHCGBP-UHFFFAOYSA-N
XLogP3.72
TPSA75.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol?
The IUPAC name of 5-(dimethylamino)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol (CID 135429376) is 5-(dimethylamino)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol.
What is the SMILES notation for 5-(dimethylamino)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol?
The canonical SMILES for 5-(dimethylamino)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol is CN(C)c1ccc(-c2nc(-c3nccc4ccccc34)no2)c(O)c1.
What is the InChIKey of 5-(dimethylamino)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol?
The InChIKey is HJXSANGFZHCGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-23(2)13-7-8-15(16(24)11-13)19-21-18(22-25-19)17-14-6-4-3-5-12(14)9-10-20-17/h3-11,24H,1-2H3.
What are the key properties of 5-(dimethylamino)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol?
5-(dimethylamino)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol has a molecular weight of 332.36 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol is sourced from PubChem (CID 135429376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).