3-(4-ethylisoquinolin-7-yl)-1,2-oxazol-5-amine

C14H13N3O — CID 117350737

IUPAC3-(4-ethylisoquinolin-7-yl)-1,2-oxazol-5-amine
SMILESCCc1cncc2cc(-c3cc(N)on3)ccc12
InChIInChI=1S/C14H13N3O/c1-2-9-7-16-8-11-5-10(3-4-12(9)11)13-6-14(15)18-17-13/h3-8H,2,15H2,1H3
InChIKeySZMZDXGUSQBYFO-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.03
Rot. Bonds2

About 3-(4-ethylisoquinolin-7-yl)-1,2-oxazol-5-amine

3-(4-ethylisoquinolin-7-yl)-1,2-oxazol-5-amine (PubChem CID 117350737) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-(4-ethylisoquinolin-7-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(4-ethylisoquinolin-7-yl)-1,2-oxazol-5-amine
PubChem CID117350737
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name3-(4-ethylisoquinolin-7-yl)-1,2-oxazol-5-amine
SMILESCCc1cncc2cc(-c3cc(N)on3)ccc12
InChIInChI=1S/C14H13N3O/c1-2-9-7-16-8-11-5-10(3-4-12(9)11)13-6-14(15)18-17-13/h3-8H,2,15H2,1H3
InChIKeySZMZDXGUSQBYFO-UHFFFAOYSA-N
XLogP3.03
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(trifluoromethyl)isoquinolin-7-yl]-1,2-oxazol-5-amine
CID 117447463
3-(3-methylisoquinolin-7-yl)-1,2-oxazol-5-amine
CID 117323198
2-(4-ethylisoquinolin-7-yl)ethanamine
CID 117289480
3-(2-methyl-1-benzofuran-5-yl)-1,2-oxazol-5-amine
CID 117305294
3-(4-butan-2-ylphenyl)-1,2-oxazol-5-amine
CID 5100398
3-(2-ethyl-5-methylphenyl)-1,2-oxazol-5-amine
CID 117290975
5-(5-amino-1,2-oxazol-3-yl)-3,3-dimethyl-1H-indol-2-one
CID 82478006
3-(3-fluoro-4-pentan-3-ylphenyl)-1,2-oxazol-5-amine
CID 117373692
3-(3-bromo-1-methylindazol-6-yl)-1,2-oxazol-5-amine
CID 117472955
3-(3-ethyl-2,6-difluorophenyl)-1,2-oxazol-5-amine
CID 117321351
3-(2-methyl-1,3-benzoxazol-5-yl)-1,2-oxazol-5-amine
CID 82492852
3-(3-chloro-4-methylsulfonylphenyl)-1,2-oxazol-5-amine
CID 117434460

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylisoquinolin-7-yl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(4-ethylisoquinolin-7-yl)-1,2-oxazol-5-amine (CID 117350737) is 3-(4-ethylisoquinolin-7-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(4-ethylisoquinolin-7-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(4-ethylisoquinolin-7-yl)-1,2-oxazol-5-amine is CCc1cncc2cc(-c3cc(N)on3)ccc12.
What is the InChIKey of 3-(4-ethylisoquinolin-7-yl)-1,2-oxazol-5-amine?
The InChIKey is SZMZDXGUSQBYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-2-9-7-16-8-11-5-10(3-4-12(9)11)13-6-14(15)18-17-13/h3-8H,2,15H2,1H3.
What are the key properties of 3-(4-ethylisoquinolin-7-yl)-1,2-oxazol-5-amine?
3-(4-ethylisoquinolin-7-yl)-1,2-oxazol-5-amine has a molecular weight of 239.28 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylisoquinolin-7-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117350737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).