5-(2,3-dimethyl-1H-indol-7-yl)-1,2-oxazol-3-amine

C13H13N3O — CID 117327000

IUPAC5-(2,3-dimethyl-1H-indol-7-yl)-1,2-oxazol-3-amine
SMILESCc1[nH]c2c(-c3cc(N)no3)cccc2c1C
InChIInChI=1S/C13H13N3O/c1-7-8(2)15-13-9(7)4-3-5-10(13)11-6-12(14)16-17-11/h3-6,15H,1-2H3,(H2,14,16)
InChIKeyOCPFLBBOPKTKAG-UHFFFAOYSA-N
MW227.27 g/mol
LogP3.02
Rot. Bonds1

About 5-(2,3-dimethyl-1H-indol-7-yl)-1,2-oxazol-3-amine

5-(2,3-dimethyl-1H-indol-7-yl)-1,2-oxazol-3-amine (PubChem CID 117327000) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 5-(2,3-dimethyl-1H-indol-7-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2,3-dimethyl-1H-indol-7-yl)-1,2-oxazol-3-amine
PubChem CID117327000
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name5-(2,3-dimethyl-1H-indol-7-yl)-1,2-oxazol-3-amine
SMILESCc1[nH]c2c(-c3cc(N)no3)cccc2c1C
InChIInChI=1S/C13H13N3O/c1-7-8(2)15-13-9(7)4-3-5-10(13)11-6-12(14)16-17-11/h3-6,15H,1-2H3,(H2,14,16)
InChIKeyOCPFLBBOPKTKAG-UHFFFAOYSA-N
XLogP3.02
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

5-(2-methoxy-3-methylphenyl)-1,2-oxazol-3-amine
CID 117292510
5-(2-propan-2-ylphenyl)-1,2-oxazol-3-amine
CID 117290994
5-[3-(1,1-difluoroethyl)-2-methoxyphenyl]-1,2-oxazol-3-amine
CID 117388330
5-(2-iodophenyl)-1,2-oxazol-3-amine
CID 66200615
ethane;5-phenyl-1,2-oxazol-3-amine
CID 145311661
5-[2-(dimethylamino)-3-fluorophenyl]-1,2-oxazol-3-amine
CID 115111733
5-(5-chloro-2,3-dimethoxy-4-methylphenyl)-1,2-oxazol-3-amine
CID 117425219
5-(2,3-dimethyl-1H-indol-7-yl)-3-(2-ethoxyethyl)-1,2,4-oxadiazole
CID 29151109
5-(3-methoxy-2-propan-2-yloxyphenyl)-1,2-oxazol-3-amine
CID 117373531
5-[2-(1,1-difluoroethyl)phenyl]-1,2-oxazol-3-amine
CID 117321347
5-[2-methoxy-3-(oxolan-3-yloxy)phenyl]-1,2-oxazol-3-amine
CID 117442341
5-(4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117348486

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethyl-1H-indol-7-yl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(2,3-dimethyl-1H-indol-7-yl)-1,2-oxazol-3-amine (CID 117327000) is 5-(2,3-dimethyl-1H-indol-7-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2,3-dimethyl-1H-indol-7-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2,3-dimethyl-1H-indol-7-yl)-1,2-oxazol-3-amine is Cc1[nH]c2c(-c3cc(N)no3)cccc2c1C.
What is the InChIKey of 5-(2,3-dimethyl-1H-indol-7-yl)-1,2-oxazol-3-amine?
The InChIKey is OCPFLBBOPKTKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-7-8(2)15-13-9(7)4-3-5-10(13)11-6-12(14)16-17-11/h3-6,15H,1-2H3,(H2,14,16).
What are the key properties of 5-(2,3-dimethyl-1H-indol-7-yl)-1,2-oxazol-3-amine?
5-(2,3-dimethyl-1H-indol-7-yl)-1,2-oxazol-3-amine has a molecular weight of 227.27 g/mol, XLogP of 3.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethyl-1H-indol-7-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117327000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).