3-[(5-isoquinolin-6-yl-1,3-oxazol-2-yl)amino]phenol

C18H13N3O2 — CID 71060396

IUPAC3-[(5-isoquinolin-6-yl-1,3-oxazol-2-yl)amino]phenol
SMILESOc1cccc(Nc2ncc(-c3ccc4cnccc4c3)o2)c1
InChIInChI=1S/C18H13N3O2/c22-16-3-1-2-15(9-16)21-18-20-11-17(23-18)13-4-5-14-10-19-7-6-12(14)8-13/h1-11,22H,(H,20,21)
InChIKeyYXAZWJKHWRBIAZ-UHFFFAOYSA-N
MW303.32 g/mol
LogP4.34
Rot. Bonds3

About 3-[(5-isoquinolin-6-yl-1,3-oxazol-2-yl)amino]phenol

3-[(5-isoquinolin-6-yl-1,3-oxazol-2-yl)amino]phenol (PubChem CID 71060396) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 3-[(5-isoquinolin-6-yl-1,3-oxazol-2-yl)amino]phenol.

Molecular Properties

Compound Name3-[(5-isoquinolin-6-yl-1,3-oxazol-2-yl)amino]phenol
PubChem CID71060396
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC Name3-[(5-isoquinolin-6-yl-1,3-oxazol-2-yl)amino]phenol
SMILESOc1cccc(Nc2ncc(-c3ccc4cnccc4c3)o2)c1
InChIInChI=1S/C18H13N3O2/c22-16-3-1-2-15(9-16)21-18-20-11-17(23-18)13-4-5-14-10-19-7-6-12(14)8-13/h1-11,22H,(H,20,21)
InChIKeyYXAZWJKHWRBIAZ-UHFFFAOYSA-N
XLogP4.34
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-isoquinolin-6-yl-1,3-oxazol-2-yl)amino]phenol?
The IUPAC name of 3-[(5-isoquinolin-6-yl-1,3-oxazol-2-yl)amino]phenol (CID 71060396) is 3-[(5-isoquinolin-6-yl-1,3-oxazol-2-yl)amino]phenol.
What is the SMILES notation for 3-[(5-isoquinolin-6-yl-1,3-oxazol-2-yl)amino]phenol?
The canonical SMILES for 3-[(5-isoquinolin-6-yl-1,3-oxazol-2-yl)amino]phenol is Oc1cccc(Nc2ncc(-c3ccc4cnccc4c3)o2)c1.
What is the InChIKey of 3-[(5-isoquinolin-6-yl-1,3-oxazol-2-yl)amino]phenol?
The InChIKey is YXAZWJKHWRBIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c22-16-3-1-2-15(9-16)21-18-20-11-17(23-18)13-4-5-14-10-19-7-6-12(14)8-13/h1-11,22H,(H,20,21).
What are the key properties of 3-[(5-isoquinolin-6-yl-1,3-oxazol-2-yl)amino]phenol?
3-[(5-isoquinolin-6-yl-1,3-oxazol-2-yl)amino]phenol has a molecular weight of 303.32 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-isoquinolin-6-yl-1,3-oxazol-2-yl)amino]phenol is sourced from PubChem (CID 71060396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).