3-(6-methoxy-1H-indol-2-yl)-1,2-oxazol-5-amine

C12H11N3O2 — CID 136985615

IUPAC3-(6-methoxy-1H-indol-2-yl)-1,2-oxazol-5-amine
SMILESCOc1ccc2cc(-c3cc(N)on3)[nH]c2c1
InChIInChI=1S/C12H11N3O2/c1-16-8-3-2-7-4-10(14-9(7)5-8)11-6-12(13)17-15-11/h2-6,14H,13H2,1H3
InChIKeyGSQOMTWFHGZTCA-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.41
Rot. Bonds2

About 3-(6-methoxy-1H-indol-2-yl)-1,2-oxazol-5-amine

3-(6-methoxy-1H-indol-2-yl)-1,2-oxazol-5-amine (PubChem CID 136985615) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 3-(6-methoxy-1H-indol-2-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(6-methoxy-1H-indol-2-yl)-1,2-oxazol-5-amine
PubChem CID136985615
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name3-(6-methoxy-1H-indol-2-yl)-1,2-oxazol-5-amine
SMILESCOc1ccc2cc(-c3cc(N)on3)[nH]c2c1
InChIInChI=1S/C12H11N3O2/c1-16-8-3-2-7-4-10(14-9(7)5-8)11-6-12(13)17-15-11/h2-6,14H,13H2,1H3
InChIKeyGSQOMTWFHGZTCA-UHFFFAOYSA-N
XLogP2.41
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-chloro-1H-indol-2-yl)-1,2-oxazol-5-amine
CID 136985599
5-(6-methoxy-1H-indol-2-yl)-1,2,4-triazin-3-amine
CID 82387503
3-[6-(trifluoromethyl)-1H-indol-2-yl]-1,2-oxazol-5-amine
CID 136985587
3-(2,7-dimethoxynaphthalen-1-yl)-1,2-oxazol-5-amine
CID 117428855
4-(6-methoxy-1H-indol-2-yl)-2-N,3-N-dimethylpyridine-2,3,6-triamine
CID 142923621
3-[4-(trifluoromethyl)-1H-indol-2-yl]-1,2-oxazol-5-amine
CID 136985669
2-(6-ethyl-1H-indol-2-yl)-5-methoxy-1H-indole
CID 144993445
(6-methoxy-1H-indol-2-yl)methanol
CID 10845030
6-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-1H-indole-2-carboxamide
CID 47155094
6-methoxy-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole
CID 58203286
ethane;6-methoxy-1H-indazole
CID 144719676
3-(2-bromo-4,6-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117481559

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-1H-indol-2-yl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(6-methoxy-1H-indol-2-yl)-1,2-oxazol-5-amine (CID 136985615) is 3-(6-methoxy-1H-indol-2-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(6-methoxy-1H-indol-2-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(6-methoxy-1H-indol-2-yl)-1,2-oxazol-5-amine is COc1ccc2cc(-c3cc(N)on3)[nH]c2c1.
What is the InChIKey of 3-(6-methoxy-1H-indol-2-yl)-1,2-oxazol-5-amine?
The InChIKey is GSQOMTWFHGZTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-16-8-3-2-7-4-10(14-9(7)5-8)11-6-12(13)17-15-11/h2-6,14H,13H2,1H3.
What are the key properties of 3-(6-methoxy-1H-indol-2-yl)-1,2-oxazol-5-amine?
3-(6-methoxy-1H-indol-2-yl)-1,2-oxazol-5-amine has a molecular weight of 229.24 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-1H-indol-2-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 136985615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).