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

C11H11N3O — CID 43559084

IUPAC1-(1,2,4-oxadiazol-3-yl)-2,3-dihydroinden-1-amine
SMILESNC1(c2ncon2)CCc2ccccc21
InChIInChI=1S/C11H11N3O/c12-11(10-13-7-15-14-10)6-5-8-3-1-2-4-9(8)11/h1-4,7H,5-6,12H2
InChIKeyHNQRVHAVZMGQJI-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.22
Rot. Bonds1

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

1-(1,2,4-oxadiazol-3-yl)-2,3-dihydroinden-1-amine (PubChem CID 43559084) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 1-(1,2,4-oxadiazol-3-yl)-2,3-dihydroinden-1-amine.

Molecular Properties

Compound Name1-(1,2,4-oxadiazol-3-yl)-2,3-dihydroinden-1-amine
PubChem CID43559084
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name1-(1,2,4-oxadiazol-3-yl)-2,3-dihydroinden-1-amine
SMILESNC1(c2ncon2)CCc2ccccc21
InChIInChI=1S/C11H11N3O/c12-11(10-13-7-15-14-10)6-5-8-3-1-2-4-9(8)11/h1-4,7H,5-6,12H2
InChIKeyHNQRVHAVZMGQJI-UHFFFAOYSA-N
XLogP1.22
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,2,4-oxadiazol-3-yl)-2,3-dihydrothiochromen-4-amine
CID 43559202
1-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroinden-1-amine
CID 43559220
1-(3,5-difluorophenyl)-2,3-dihydroinden-1-amine
CID 55115938
2-(1-amino-2,3-dihydroinden-1-yl)benzamide
CID 67610187
8-(1,2,4-oxadiazol-3-yl)spiro[3.4]octan-8-amine
CID 130774923
1-(2,4-difluorophenyl)-2,3-dihydroinden-1-amine
CID 55120511
1-(3-methylthiophen-2-yl)-2,3-dihydroinden-1-amine
CID 79992474
3-methyl-1-(1,2,4-oxadiazol-3-yl)cyclobutan-1-amine
CID 103563968
1-(3-methoxyphenyl)-2,3-dihydroinden-1-amine
CID 54919051
5-(5-methyl-1,3-thiazol-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 43558971
5-(4-fluorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 60793660
5-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 54919324

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,4-oxadiazol-3-yl)-2,3-dihydroinden-1-amine?
The IUPAC name of 1-(1,2,4-oxadiazol-3-yl)-2,3-dihydroinden-1-amine (CID 43559084) is 1-(1,2,4-oxadiazol-3-yl)-2,3-dihydroinden-1-amine.
What is the SMILES notation for 1-(1,2,4-oxadiazol-3-yl)-2,3-dihydroinden-1-amine?
The canonical SMILES for 1-(1,2,4-oxadiazol-3-yl)-2,3-dihydroinden-1-amine is NC1(c2ncon2)CCc2ccccc21.
What is the InChIKey of 1-(1,2,4-oxadiazol-3-yl)-2,3-dihydroinden-1-amine?
The InChIKey is HNQRVHAVZMGQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c12-11(10-13-7-15-14-10)6-5-8-3-1-2-4-9(8)11/h1-4,7H,5-6,12H2.
What are the key properties of 1-(1,2,4-oxadiazol-3-yl)-2,3-dihydroinden-1-amine?
1-(1,2,4-oxadiazol-3-yl)-2,3-dihydroinden-1-amine has a molecular weight of 201.23 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,4-oxadiazol-3-yl)-2,3-dihydroinden-1-amine is sourced from PubChem (CID 43559084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).