5-(7-methoxy-1-methylindol-4-yl)-1,2-oxazol-4-amine

C13H13N3O2 — CID 82386450

IUPAC5-(7-methoxy-1-methylindol-4-yl)-1,2-oxazol-4-amine
SMILESCOc1ccc(-c2oncc2N)c2ccn(C)c12
InChIInChI=1S/C13H13N3O2/c1-16-6-5-8-9(13-10(14)7-15-18-13)3-4-11(17-2)12(8)16/h3-7H,14H2,1-2H3
InChIKeyPJBOFJLBXCEVLJ-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.42
Rot. Bonds2

About 5-(7-methoxy-1-methylindol-4-yl)-1,2-oxazol-4-amine

5-(7-methoxy-1-methylindol-4-yl)-1,2-oxazol-4-amine (PubChem CID 82386450) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 5-(7-methoxy-1-methylindol-4-yl)-1,2-oxazol-4-amine.

Molecular Properties

Compound Name5-(7-methoxy-1-methylindol-4-yl)-1,2-oxazol-4-amine
PubChem CID82386450
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name5-(7-methoxy-1-methylindol-4-yl)-1,2-oxazol-4-amine
SMILESCOc1ccc(-c2oncc2N)c2ccn(C)c12
InChIInChI=1S/C13H13N3O2/c1-16-6-5-8-9(13-10(14)7-15-18-13)3-4-11(17-2)12(8)16/h3-7H,14H2,1-2H3
InChIKeyPJBOFJLBXCEVLJ-UHFFFAOYSA-N
XLogP2.42
TPSA66.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

5-(7-methoxy-1-methylindol-4-yl)-1,2-oxazole-3-carboxylic acid
CID 117433252
7-methoxy-1-methyl-4-pyrimidin-4-ylindole
CID 175774096
5-(5-methoxy-1-methylindol-3-yl)-1,2-oxazol-4-amine
CID 115109081
5-(7-methoxy-1-methylindol-4-yl)-1-methylpyrazole-3-carboxylic acid
CID 117459377
1-[5-(2,4-dimethoxy-3-methylphenyl)-1,2-oxazol-4-yl]ethanone
CID 82302163
4-(3,4-dimethoxyphenyl)-5-(4-methoxynaphthalen-1-yl)-1,2-oxazole
CID 151726229
5-methoxy-1,2-benzoxazol-4-amine
CID 117109992
2-(5,7-dimethoxy-1-methylindol-4-yl)-2-oxoacetamide
CID 102396716
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
4-(4-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 117297113
4-(1-isocyanatocyclobutyl)-7-methoxy-1-methylindole
CID 117394199

Frequently Asked Questions

What is the IUPAC name of 5-(7-methoxy-1-methylindol-4-yl)-1,2-oxazol-4-amine?
The IUPAC name of 5-(7-methoxy-1-methylindol-4-yl)-1,2-oxazol-4-amine (CID 82386450) is 5-(7-methoxy-1-methylindol-4-yl)-1,2-oxazol-4-amine.
What is the SMILES notation for 5-(7-methoxy-1-methylindol-4-yl)-1,2-oxazol-4-amine?
The canonical SMILES for 5-(7-methoxy-1-methylindol-4-yl)-1,2-oxazol-4-amine is COc1ccc(-c2oncc2N)c2ccn(C)c12.
What is the InChIKey of 5-(7-methoxy-1-methylindol-4-yl)-1,2-oxazol-4-amine?
The InChIKey is PJBOFJLBXCEVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-16-6-5-8-9(13-10(14)7-15-18-13)3-4-11(17-2)12(8)16/h3-7H,14H2,1-2H3.
What are the key properties of 5-(7-methoxy-1-methylindol-4-yl)-1,2-oxazol-4-amine?
5-(7-methoxy-1-methylindol-4-yl)-1,2-oxazol-4-amine has a molecular weight of 243.27 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-methoxy-1-methylindol-4-yl)-1,2-oxazol-4-amine is sourced from PubChem (CID 82386450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).