1-[5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine

C14H17N3O — CID 106894106

IUPAC1-[5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(N)Cc1noc(C2Cc3ccccc3C2)n1
InChIInChI=1S/C14H17N3O/c1-9(15)6-13-16-14(18-17-13)12-7-10-4-2-3-5-11(10)8-12/h2-5,9,12H,6-8,15H2,1H3
InChIKeyQEKCRNRVCWUEEM-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.84
Rot. Bonds3

About 1-[5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine

1-[5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 106894106) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-[5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID106894106
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-[5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(N)Cc1noc(C2Cc3ccccc3C2)n1
InChIInChI=1S/C14H17N3O/c1-9(15)6-13-16-14(18-17-13)12-7-10-4-2-3-5-11(10)8-12/h2-5,9,12H,6-8,15H2,1H3
InChIKeyQEKCRNRVCWUEEM-UHFFFAOYSA-N
XLogP1.84
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 1-[5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 106894106) is 1-[5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 1-[5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 1-[5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine is CC(N)Cc1noc(C2Cc3ccccc3C2)n1.
What is the InChIKey of 1-[5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is QEKCRNRVCWUEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-9(15)6-13-16-14(18-17-13)12-7-10-4-2-3-5-11(10)8-12/h2-5,9,12H,6-8,15H2,1H3.
What are the key properties of 1-[5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
1-[5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 243.31 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 106894106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).