2-isoquinolin-3-yl-6-methyl-1,3-benzoxazole

C17H12N2O — CID 141453373

IUPAC2-isoquinolin-3-yl-6-methyl-1,3-benzoxazole
SMILESCc1ccc2nc(-c3cc4ccccc4cn3)oc2c1
InChIInChI=1S/C17H12N2O/c1-11-6-7-14-16(8-11)20-17(19-14)15-9-12-4-2-3-5-13(12)10-18-15/h2-10H,1H3
InChIKeyHHEQUTXONCBVHV-UHFFFAOYSA-N
MW260.30 g/mol
LogP4.35
Rot. Bonds1

About 2-isoquinolin-3-yl-6-methyl-1,3-benzoxazole

2-isoquinolin-3-yl-6-methyl-1,3-benzoxazole (PubChem CID 141453373) has the molecular formula C17H12N2O and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-isoquinolin-3-yl-6-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-isoquinolin-3-yl-6-methyl-1,3-benzoxazole
PubChem CID141453373
Molecular FormulaC17H12N2O
Molecular Weight260.30 g/mol
Exact Mass260.09
IUPAC Name2-isoquinolin-3-yl-6-methyl-1,3-benzoxazole
SMILESCc1ccc2nc(-c3cc4ccccc4cn3)oc2c1
InChIInChI=1S/C17H12N2O/c1-11-6-7-14-16(8-11)20-17(19-14)15-9-12-4-2-3-5-13(12)10-18-15/h2-10H,1H3
InChIKeyHHEQUTXONCBVHV-UHFFFAOYSA-N
XLogP4.35
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-(3-methylphenyl)-1,3-benzoxazole
CID 17360080
5-methyl-2-pyridin-2-yl-1,3-benzoxazole
CID 12031006
3-(5-methyl-2-pyridinyl)isoquinoline
CID 58382619
2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole
CID 4154393
2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-methyl-1,3-benzoxazole;methanamine;6-methyl-2-phenyl-1,3-benzoxazole;2-(4-methylphenyl)-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
CID 162036197
5-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-3-amine
CID 64528494
6-methyl-1,3-benzoxazol-2-amine
CID 45079000
2-chloro-6-methyl-1,3-benzoxazole
CID 10678666
[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methylazanium
CID 7339766
[6-(5-methyl-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine
CID 81098943
6-methyl-2-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole
CID 656381
6-methyl-N-phenyl-1,3-benzoxazol-2-amine
CID 59991820

Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-3-yl-6-methyl-1,3-benzoxazole?
The IUPAC name of 2-isoquinolin-3-yl-6-methyl-1,3-benzoxazole (CID 141453373) is 2-isoquinolin-3-yl-6-methyl-1,3-benzoxazole.
What is the SMILES notation for 2-isoquinolin-3-yl-6-methyl-1,3-benzoxazole?
The canonical SMILES for 2-isoquinolin-3-yl-6-methyl-1,3-benzoxazole is Cc1ccc2nc(-c3cc4ccccc4cn3)oc2c1.
What is the InChIKey of 2-isoquinolin-3-yl-6-methyl-1,3-benzoxazole?
The InChIKey is HHEQUTXONCBVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O/c1-11-6-7-14-16(8-11)20-17(19-14)15-9-12-4-2-3-5-13(12)10-18-15/h2-10H,1H3.
What are the key properties of 2-isoquinolin-3-yl-6-methyl-1,3-benzoxazole?
2-isoquinolin-3-yl-6-methyl-1,3-benzoxazole has a molecular weight of 260.30 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-3-yl-6-methyl-1,3-benzoxazole is sourced from PubChem (CID 141453373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).