1-[4-[5-(1,3-oxazol-5-yl)isoquinolin-6-yl]phenyl]ethanamine

C20H17N3O — CID 143030915

IUPAC1-[4-[5-(1,3-oxazol-5-yl)isoquinolin-6-yl]phenyl]ethanamine
SMILESCC(N)c1ccc(-c2ccc3cnccc3c2-c2cnco2)cc1
InChIInChI=1S/C20H17N3O/c1-13(21)14-2-4-15(5-3-14)17-7-6-16-10-22-9-8-18(16)20(17)19-11-23-12-24-19/h2-13H,21H2,1H3
InChIKeyKTFSWMYQRYPBJY-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.58
Rot. Bonds3

About 1-[4-[5-(1,3-oxazol-5-yl)isoquinolin-6-yl]phenyl]ethanamine

1-[4-[5-(1,3-oxazol-5-yl)isoquinolin-6-yl]phenyl]ethanamine (PubChem CID 143030915) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-[4-[5-(1,3-oxazol-5-yl)isoquinolin-6-yl]phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-[5-(1,3-oxazol-5-yl)isoquinolin-6-yl]phenyl]ethanamine
PubChem CID143030915
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name1-[4-[5-(1,3-oxazol-5-yl)isoquinolin-6-yl]phenyl]ethanamine
SMILESCC(N)c1ccc(-c2ccc3cnccc3c2-c2cnco2)cc1
InChIInChI=1S/C20H17N3O/c1-13(21)14-2-4-15(5-3-14)17-7-6-16-10-22-9-8-18(16)20(17)19-11-23-12-24-19/h2-13H,21H2,1H3
InChIKeyKTFSWMYQRYPBJY-UHFFFAOYSA-N
XLogP4.58
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(1,3-oxazol-5-yl)isoquinolin-6-yl]phenyl]ethanamine?
The IUPAC name of 1-[4-[5-(1,3-oxazol-5-yl)isoquinolin-6-yl]phenyl]ethanamine (CID 143030915) is 1-[4-[5-(1,3-oxazol-5-yl)isoquinolin-6-yl]phenyl]ethanamine.
What is the SMILES notation for 1-[4-[5-(1,3-oxazol-5-yl)isoquinolin-6-yl]phenyl]ethanamine?
The canonical SMILES for 1-[4-[5-(1,3-oxazol-5-yl)isoquinolin-6-yl]phenyl]ethanamine is CC(N)c1ccc(-c2ccc3cnccc3c2-c2cnco2)cc1.
What is the InChIKey of 1-[4-[5-(1,3-oxazol-5-yl)isoquinolin-6-yl]phenyl]ethanamine?
The InChIKey is KTFSWMYQRYPBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-13(21)14-2-4-15(5-3-14)17-7-6-16-10-22-9-8-18(16)20(17)19-11-23-12-24-19/h2-13H,21H2,1H3.
What are the key properties of 1-[4-[5-(1,3-oxazol-5-yl)isoquinolin-6-yl]phenyl]ethanamine?
1-[4-[5-(1,3-oxazol-5-yl)isoquinolin-6-yl]phenyl]ethanamine has a molecular weight of 315.38 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(1,3-oxazol-5-yl)isoquinolin-6-yl]phenyl]ethanamine is sourced from PubChem (CID 143030915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).