5-(4-methoxy-3-methyl-1H-indol-5-yl)-1,2-oxazol-3-amine

C13H13N3O2 — CID 117359651

IUPAC5-(4-methoxy-3-methyl-1H-indol-5-yl)-1,2-oxazol-3-amine
SMILESCOc1c(-c2cc(N)no2)ccc2[nH]cc(C)c12
InChIInChI=1S/C13H13N3O2/c1-7-6-15-9-4-3-8(13(17-2)12(7)9)10-5-11(14)16-18-10/h3-6,15H,1-2H3,(H2,14,16)
InChIKeyOWHXIUAFCKRROO-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.72
Rot. Bonds2

About 5-(4-methoxy-3-methyl-1H-indol-5-yl)-1,2-oxazol-3-amine

5-(4-methoxy-3-methyl-1H-indol-5-yl)-1,2-oxazol-3-amine (PubChem CID 117359651) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 5-(4-methoxy-3-methyl-1H-indol-5-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(4-methoxy-3-methyl-1H-indol-5-yl)-1,2-oxazol-3-amine
PubChem CID117359651
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name5-(4-methoxy-3-methyl-1H-indol-5-yl)-1,2-oxazol-3-amine
SMILESCOc1c(-c2cc(N)no2)ccc2[nH]cc(C)c12
InChIInChI=1S/C13H13N3O2/c1-7-6-15-9-4-3-8(13(17-2)12(7)9)10-5-11(14)16-18-10/h3-6,15H,1-2H3,(H2,14,16)
InChIKeyOWHXIUAFCKRROO-UHFFFAOYSA-N
XLogP2.72
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117348486
5-(2-methoxy-3-methylphenyl)-1,2-oxazol-3-amine
CID 117292510
5-(2,4-dimethoxy-3-methylsulfanylphenyl)-1,2-oxazol-3-amine
CID 117419900
5-(3-chloro-2,4-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117389690
5-(4-methoxy-1-benzothiophen-5-yl)-1,2-oxazol-3-amine
CID 117367799
5-(4-fluoro-1H-indol-5-yl)-1,2-oxazol-3-amine
CID 117308917
5-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-3-amine
CID 117461608
5-[3-(1,1-difluoroethyl)-2-methoxyphenyl]-1,2-oxazol-3-amine
CID 117388330
5-(2,3-dimethoxy-4,6-dimethylphenyl)-1,2-oxazol-3-amine
CID 117373527
5-(4,5-difluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117393411
5-(7-methoxy-1-benzofuran-4-yl)-1,2-oxazol-3-amine
CID 117332191
5-(5-chloro-2,3-dimethoxy-4-methylphenyl)-1,2-oxazol-3-amine
CID 117425219

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-3-methyl-1H-indol-5-yl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(4-methoxy-3-methyl-1H-indol-5-yl)-1,2-oxazol-3-amine (CID 117359651) is 5-(4-methoxy-3-methyl-1H-indol-5-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(4-methoxy-3-methyl-1H-indol-5-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(4-methoxy-3-methyl-1H-indol-5-yl)-1,2-oxazol-3-amine is COc1c(-c2cc(N)no2)ccc2[nH]cc(C)c12.
What is the InChIKey of 5-(4-methoxy-3-methyl-1H-indol-5-yl)-1,2-oxazol-3-amine?
The InChIKey is OWHXIUAFCKRROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-7-6-15-9-4-3-8(13(17-2)12(7)9)10-5-11(14)16-18-10/h3-6,15H,1-2H3,(H2,14,16).
What are the key properties of 5-(4-methoxy-3-methyl-1H-indol-5-yl)-1,2-oxazol-3-amine?
5-(4-methoxy-3-methyl-1H-indol-5-yl)-1,2-oxazol-3-amine has a molecular weight of 243.27 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-3-methyl-1H-indol-5-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117359651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).