6-(3,5-dimethyl-1,2-oxazol-4-yl)isoquinolin-3-amine

C14H13N3O — CID 118980517

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)isoquinolin-3-amine
SMILESCc1noc(C)c1-c1ccc2cnc(N)cc2c1
InChIInChI=1S/C14H13N3O/c1-8-14(9(2)18-17-8)10-3-4-11-7-16-13(15)6-12(11)5-10/h3-7H,1-2H3,(H2,15,16)
InChIKeyBHKBECZVRZTARW-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.09
Rot. Bonds1

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)isoquinolin-3-amine

6-(3,5-dimethyl-1,2-oxazol-4-yl)isoquinolin-3-amine (PubChem CID 118980517) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)isoquinolin-3-amine.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)isoquinolin-3-amine
PubChem CID118980517
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)isoquinolin-3-amine
SMILESCc1noc(C)c1-c1ccc2cnc(N)cc2c1
InChIInChI=1S/C14H13N3O/c1-8-14(9(2)18-17-8)10-3-4-11-7-16-13(15)6-12(11)5-10/h3-7H,1-2H3,(H2,15,16)
InChIKeyBHKBECZVRZTARW-UHFFFAOYSA-N
XLogP3.09
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)isoquinolin-3-amine?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)isoquinolin-3-amine (CID 118980517) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)isoquinolin-3-amine.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)isoquinolin-3-amine?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)isoquinolin-3-amine is Cc1noc(C)c1-c1ccc2cnc(N)cc2c1.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)isoquinolin-3-amine?
The InChIKey is BHKBECZVRZTARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-8-14(9(2)18-17-8)10-3-4-11-7-16-13(15)6-12(11)5-10/h3-7H,1-2H3,(H2,15,16).
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)isoquinolin-3-amine?
6-(3,5-dimethyl-1,2-oxazol-4-yl)isoquinolin-3-amine has a molecular weight of 239.28 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)isoquinolin-3-amine is sourced from PubChem (CID 118980517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).