4-(4-methoxy-1H-indol-6-yl)-1,2-oxazol-5-amine

C12H11N3O2 — CID 117330207

IUPAC4-(4-methoxy-1H-indol-6-yl)-1,2-oxazol-5-amine
SMILESCOc1cc(-c2cnoc2N)cc2[nH]ccc12
InChIInChI=1S/C12H11N3O2/c1-16-11-5-7(9-6-15-17-12(9)13)4-10-8(11)2-3-14-10/h2-6,14H,13H2,1H3
InChIKeyNYUAKUZMDXVZDO-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.41
Rot. Bonds2

About 4-(4-methoxy-1H-indol-6-yl)-1,2-oxazol-5-amine

4-(4-methoxy-1H-indol-6-yl)-1,2-oxazol-5-amine (PubChem CID 117330207) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 4-(4-methoxy-1H-indol-6-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-methoxy-1H-indol-6-yl)-1,2-oxazol-5-amine
PubChem CID117330207
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name4-(4-methoxy-1H-indol-6-yl)-1,2-oxazol-5-amine
SMILESCOc1cc(-c2cnoc2N)cc2[nH]ccc12
InChIInChI=1S/C12H11N3O2/c1-16-11-5-7(9-6-15-17-12(9)13)4-10-8(11)2-3-14-10/h2-6,14H,13H2,1H3
InChIKeyNYUAKUZMDXVZDO-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

4-[3-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine
CID 117449840
4-(3-chloro-4-cyclopropyloxy-5-methoxyphenyl)-1,2-oxazol-5-amine
CID 117450717
4-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazol-5-amine
CID 117324756
4-(3-chloro-4-ethyl-5-methoxyphenyl)-1,2-oxazol-5-amine
CID 117384751
4-(2-methoxynaphthalen-1-yl)-1,2-oxazol-5-amine
CID 117353085
4-methoxy-6-methyl-1H-indole
CID 24728816
4-[4-methoxy-3-(thian-4-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117491641
4-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]-1,2-oxazol-5-amine
CID 117488480
4-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-1,2-oxazol-5-amine
CID 117404879
4-(4-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 117297113
4-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]aniline
CID 58712172
4-(2,4-dimethoxy-3-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117410390

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-1H-indol-6-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(4-methoxy-1H-indol-6-yl)-1,2-oxazol-5-amine (CID 117330207) is 4-(4-methoxy-1H-indol-6-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(4-methoxy-1H-indol-6-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(4-methoxy-1H-indol-6-yl)-1,2-oxazol-5-amine is COc1cc(-c2cnoc2N)cc2[nH]ccc12.
What is the InChIKey of 4-(4-methoxy-1H-indol-6-yl)-1,2-oxazol-5-amine?
The InChIKey is NYUAKUZMDXVZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-16-11-5-7(9-6-15-17-12(9)13)4-10-8(11)2-3-14-10/h2-6,14H,13H2,1H3.
What are the key properties of 4-(4-methoxy-1H-indol-6-yl)-1,2-oxazol-5-amine?
4-(4-methoxy-1H-indol-6-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 4-(4-methoxy-1H-indol-6-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117330207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).