5-(1-methoxyisoquinolin-6-yl)-1,2-oxazol-3-amine

C13H11N3O2 — CID 117354699

IUPAC5-(1-methoxyisoquinolin-6-yl)-1,2-oxazol-3-amine
SMILESCOc1nccc2cc(-c3cc(N)no3)ccc12
InChIInChI=1S/C13H11N3O2/c1-17-13-10-3-2-9(6-8(10)4-5-15-13)11-7-12(14)16-18-11/h2-7H,1H3,(H2,14,16)
InChIKeyPTMKUFVWWTVWGI-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.48
Rot. Bonds2

About 5-(1-methoxyisoquinolin-6-yl)-1,2-oxazol-3-amine

5-(1-methoxyisoquinolin-6-yl)-1,2-oxazol-3-amine (PubChem CID 117354699) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 5-(1-methoxyisoquinolin-6-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(1-methoxyisoquinolin-6-yl)-1,2-oxazol-3-amine
PubChem CID117354699
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name5-(1-methoxyisoquinolin-6-yl)-1,2-oxazol-3-amine
SMILESCOc1nccc2cc(-c3cc(N)no3)ccc12
InChIInChI=1S/C13H11N3O2/c1-17-13-10-3-2-9(6-8(10)4-5-15-13)11-7-12(14)16-18-11/h2-7H,1H3,(H2,14,16)
InChIKeyPTMKUFVWWTVWGI-UHFFFAOYSA-N
XLogP2.48
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methoxy-3-methylphenyl)-1,2-oxazol-3-amine
CID 82112667
5-(3-chloro-4-methoxyphenyl)-1,2-oxazol-3-amine
CID 82114977
5-(4-tert-butylisoquinolin-7-yl)-1,2-oxazol-3-amine
CID 117421809
5-(4-ethoxyphenyl)-1,2-oxazol-3-amine
CID 27242742
5-[4-(1,3-oxazol-2-yl)phenyl]-1,2-oxazol-3-amine
CID 117326354
5-[3-(1,1-difluoroethyl)-4-methoxyphenyl]-1,2-oxazol-3-amine
CID 117388329
5-(3,5-difluoro-2,6-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117393405
5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine
CID 64983047
5-(4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine
CID 82472063
5-(3-chloro-1-methylindazol-6-yl)-1,2-oxazol-3-amine
CID 117374898
ethane;5-phenyl-1,2-oxazol-3-amine
CID 145311661
1-(1-methoxyisoquinolin-6-yl)cyclopropan-1-ol
CID 117306768

Frequently Asked Questions

What is the IUPAC name of 5-(1-methoxyisoquinolin-6-yl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(1-methoxyisoquinolin-6-yl)-1,2-oxazol-3-amine (CID 117354699) is 5-(1-methoxyisoquinolin-6-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(1-methoxyisoquinolin-6-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(1-methoxyisoquinolin-6-yl)-1,2-oxazol-3-amine is COc1nccc2cc(-c3cc(N)no3)ccc12.
What is the InChIKey of 5-(1-methoxyisoquinolin-6-yl)-1,2-oxazol-3-amine?
The InChIKey is PTMKUFVWWTVWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-17-13-10-3-2-9(6-8(10)4-5-15-13)11-7-12(14)16-18-11/h2-7H,1H3,(H2,14,16).
What are the key properties of 5-(1-methoxyisoquinolin-6-yl)-1,2-oxazol-3-amine?
5-(1-methoxyisoquinolin-6-yl)-1,2-oxazol-3-amine has a molecular weight of 241.25 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methoxyisoquinolin-6-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117354699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).