1-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroinden-1-amine

C12H13N3O — CID 43559220

IUPAC1-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroinden-1-amine
SMILESCc1nc(C2(N)CCc3ccccc32)no1
InChIInChI=1S/C12H13N3O/c1-8-14-11(15-16-8)12(13)7-6-9-4-2-3-5-10(9)12/h2-5H,6-7,13H2,1H3
InChIKeyVLUZSAQQWIGVNG-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.53
Rot. Bonds1

About 1-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroinden-1-amine

1-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroinden-1-amine (PubChem CID 43559220) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 1-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroinden-1-amine.

Molecular Properties

Compound Name1-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroinden-1-amine
PubChem CID43559220
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name1-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroinden-1-amine
SMILESCc1nc(C2(N)CCc3ccccc32)no1
InChIInChI=1S/C12H13N3O/c1-8-14-11(15-16-8)12(13)7-6-9-4-2-3-5-10(9)12/h2-5H,6-7,13H2,1H3
InChIKeyVLUZSAQQWIGVNG-UHFFFAOYSA-N
XLogP1.53
TPSA64.94 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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroinden-1-amine?
The IUPAC name of 1-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroinden-1-amine (CID 43559220) is 1-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroinden-1-amine.
What is the SMILES notation for 1-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroinden-1-amine?
The canonical SMILES for 1-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroinden-1-amine is Cc1nc(C2(N)CCc3ccccc32)no1.
What is the InChIKey of 1-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroinden-1-amine?
The InChIKey is VLUZSAQQWIGVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8-14-11(15-16-8)12(13)7-6-9-4-2-3-5-10(9)12/h2-5H,6-7,13H2,1H3.
What are the key properties of 1-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroinden-1-amine?
1-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroinden-1-amine has a molecular weight of 215.26 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroinden-1-amine is sourced from PubChem (CID 43559220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).