3-(3-methylisoquinolin-7-yl)-1,2-oxazol-5-amine

C13H11N3O — CID 117323198

IUPAC3-(3-methylisoquinolin-7-yl)-1,2-oxazol-5-amine
SMILESCc1cc2ccc(-c3cc(N)on3)cc2cn1
InChIInChI=1S/C13H11N3O/c1-8-4-9-2-3-10(5-11(9)7-15-8)12-6-13(14)17-16-12/h2-7H,14H2,1H3
InChIKeyRQXXDNXZJWLYOJ-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.78
Rot. Bonds1

About 3-(3-methylisoquinolin-7-yl)-1,2-oxazol-5-amine

3-(3-methylisoquinolin-7-yl)-1,2-oxazol-5-amine (PubChem CID 117323198) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-(3-methylisoquinolin-7-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3-methylisoquinolin-7-yl)-1,2-oxazol-5-amine
PubChem CID117323198
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name3-(3-methylisoquinolin-7-yl)-1,2-oxazol-5-amine
SMILESCc1cc2ccc(-c3cc(N)on3)cc2cn1
InChIInChI=1S/C13H11N3O/c1-8-4-9-2-3-10(5-11(9)7-15-8)12-6-13(14)17-16-12/h2-7H,14H2,1H3
InChIKeyRQXXDNXZJWLYOJ-UHFFFAOYSA-N
XLogP2.78
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methyl-1-benzofuran-5-yl)-1,2-oxazol-5-amine
CID 117305294
3-(4-methyl-3-methylsulfanylphenyl)-1,2-oxazol-5-amine
CID 117314495
3-(2-methyl-1,3-benzoxazol-5-yl)-1,2-oxazol-5-amine
CID 82492852
3-(4-ethylisoquinolin-7-yl)-1,2-oxazol-5-amine
CID 117350737
3-[3-(dimethylamino)-4-methylphenyl]-1,2-oxazol-5-amine
CID 115112364
3-methyl-7-(2-methylphenyl)isoquinoline
CID 129170421
3-(2,3-dimethylbenzimidazol-5-yl)-1,2-oxazol-5-amine
CID 117328763
3-(4-propan-2-yloxyphenyl)-1,2-oxazol-5-amine
CID 82472062
3-[4-(trifluoromethyl)isoquinolin-7-yl]-1,2-oxazol-5-amine
CID 117447463
3-[4-(2-methylimidazol-1-yl)phenyl]-1,2-oxazol-5-amine
CID 117353119
5-(5-amino-1,2-oxazol-3-yl)-3,3-dimethyl-1H-indol-2-one
CID 82478006
3-(1,3-benzothiazol-6-yl)-1,2-oxazol-5-amine
CID 117309227

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylisoquinolin-7-yl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(3-methylisoquinolin-7-yl)-1,2-oxazol-5-amine (CID 117323198) is 3-(3-methylisoquinolin-7-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3-methylisoquinolin-7-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3-methylisoquinolin-7-yl)-1,2-oxazol-5-amine is Cc1cc2ccc(-c3cc(N)on3)cc2cn1.
What is the InChIKey of 3-(3-methylisoquinolin-7-yl)-1,2-oxazol-5-amine?
The InChIKey is RQXXDNXZJWLYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-8-4-9-2-3-10(5-11(9)7-15-8)12-6-13(14)17-16-12/h2-7H,14H2,1H3.
What are the key properties of 3-(3-methylisoquinolin-7-yl)-1,2-oxazol-5-amine?
3-(3-methylisoquinolin-7-yl)-1,2-oxazol-5-amine has a molecular weight of 225.25 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylisoquinolin-7-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117323198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).