3-(1-methyl-2,3-dihydroindol-7-yl)-1,2-oxazol-5-amine

C12H13N3O — CID 117306857

IUPAC3-(1-methyl-2,3-dihydroindol-7-yl)-1,2-oxazol-5-amine
SMILESCN1CCc2cccc(-c3cc(N)on3)c21
InChIInChI=1S/C12H13N3O/c1-15-6-5-8-3-2-4-9(12(8)15)10-7-11(13)16-14-10/h2-4,7H,5-6,13H2,1H3
InChIKeyZFTUSGZKWKDDCP-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.92
Rot. Bonds1

About 3-(1-methyl-2,3-dihydroindol-7-yl)-1,2-oxazol-5-amine

3-(1-methyl-2,3-dihydroindol-7-yl)-1,2-oxazol-5-amine (PubChem CID 117306857) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-(1-methyl-2,3-dihydroindol-7-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(1-methyl-2,3-dihydroindol-7-yl)-1,2-oxazol-5-amine
PubChem CID117306857
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-(1-methyl-2,3-dihydroindol-7-yl)-1,2-oxazol-5-amine
SMILESCN1CCc2cccc(-c3cc(N)on3)c21
InChIInChI=1S/C12H13N3O/c1-15-6-5-8-3-2-4-9(12(8)15)10-7-11(13)16-14-10/h2-4,7H,5-6,13H2,1H3
InChIKeyZFTUSGZKWKDDCP-UHFFFAOYSA-N
XLogP1.92
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-2,3-dihydroindol-7-yl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(1-methyl-2,3-dihydroindol-7-yl)-1,2-oxazol-5-amine (CID 117306857) is 3-(1-methyl-2,3-dihydroindol-7-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(1-methyl-2,3-dihydroindol-7-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(1-methyl-2,3-dihydroindol-7-yl)-1,2-oxazol-5-amine is CN1CCc2cccc(-c3cc(N)on3)c21.
What is the InChIKey of 3-(1-methyl-2,3-dihydroindol-7-yl)-1,2-oxazol-5-amine?
The InChIKey is ZFTUSGZKWKDDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-15-6-5-8-3-2-4-9(12(8)15)10-7-11(13)16-14-10/h2-4,7H,5-6,13H2,1H3.
What are the key properties of 3-(1-methyl-2,3-dihydroindol-7-yl)-1,2-oxazol-5-amine?
3-(1-methyl-2,3-dihydroindol-7-yl)-1,2-oxazol-5-amine has a molecular weight of 215.26 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-2,3-dihydroindol-7-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117306857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).