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

C16H19N3O — CID 142058094

IUPAC5-[(1R,3R)-3-(2,3-dihydro-1H-inden-4-yl)-2,2-dimethylcyclopropyl]-1,2,4-oxadiazol-3-amine
SMILESCC1(C)[C@H](c2nc(N)no2)[C@H]1c1cccc2c1CCC2
InChIInChI=1S/C16H19N3O/c1-16(2)12(13(16)14-18-15(17)19-20-14)11-8-4-6-9-5-3-7-10(9)11/h4,6,8,12-13H,3,5,7H2,1-2H3,(H2,17,19)/t12-,13+/m1/s1
InChIKeyICABVYZEPBHTQV-OLZOCXBDSA-N
MW269.35 g/mol
LogP3.05
Rot. Bonds2

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

5-[(1R,3R)-3-(2,3-dihydro-1H-inden-4-yl)-2,2-dimethylcyclopropyl]-1,2,4-oxadiazol-3-amine (PubChem CID 142058094) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 5-[(1R,3R)-3-(2,3-dihydro-1H-inden-4-yl)-2,2-dimethylcyclopropyl]-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[(1R,3R)-3-(2,3-dihydro-1H-inden-4-yl)-2,2-dimethylcyclopropyl]-1,2,4-oxadiazol-3-amine
PubChem CID142058094
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name5-[(1R,3R)-3-(2,3-dihydro-1H-inden-4-yl)-2,2-dimethylcyclopropyl]-1,2,4-oxadiazol-3-amine
SMILESCC1(C)[C@H](c2nc(N)no2)[C@H]1c1cccc2c1CCC2
InChIInChI=1S/C16H19N3O/c1-16(2)12(13(16)14-18-15(17)19-20-14)11-8-4-6-9-5-3-7-10(9)11/h4,6,8,12-13H,3,5,7H2,1-2H3,(H2,17,19)/t12-,13+/m1/s1
InChIKeyICABVYZEPBHTQV-OLZOCXBDSA-N
XLogP3.05
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1R,3R)-3-(2,3-dihydro-1H-inden-4-yl)-2,2-dimethylcyclopropyl]-N-prop-1-en-2-yl-1H-imidazol-2-amine
CID 142057975
5-(2,3-dihydro-1-benzothiophen-3-yl)-1,2,4-oxadiazol-3-amine
CID 79214157
5-[(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-1H-1,2,4-triazol-3-amine
CID 10199316
5-(2,3-dihydro-1H-inden-4-yl)-6-methylpyrimidine-2,4-diamine
CID 69079950
2-[5-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 62720048
2-[5-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62719692
2,3-dihydro-1H-inden-4-amine;N,N-dimethylmethanamine
CID 174754573
2,3-dihydro-1H-inden-4-amine;ethane;methylphosphane
CID 143660749
5-cyclopentyl-1,2,4-oxadiazol-3-amine
CID 53418487
2-(2,3-dihydro-1H-inden-4-yl)-2-methylpyrrolidine
CID 117290346
3-(chloromethyl)-5-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazole
CID 55111257
3-(2,2-dimethylcyclopropyl)-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-1,2,4-oxadiazole
CID 107925045

Frequently Asked Questions

What is the IUPAC name of 5-[(1R,3R)-3-(2,3-dihydro-1H-inden-4-yl)-2,2-dimethylcyclopropyl]-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[(1R,3R)-3-(2,3-dihydro-1H-inden-4-yl)-2,2-dimethylcyclopropyl]-1,2,4-oxadiazol-3-amine (CID 142058094) is 5-[(1R,3R)-3-(2,3-dihydro-1H-inden-4-yl)-2,2-dimethylcyclopropyl]-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[(1R,3R)-3-(2,3-dihydro-1H-inden-4-yl)-2,2-dimethylcyclopropyl]-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[(1R,3R)-3-(2,3-dihydro-1H-inden-4-yl)-2,2-dimethylcyclopropyl]-1,2,4-oxadiazol-3-amine is CC1(C)[C@H](c2nc(N)no2)[C@H]1c1cccc2c1CCC2.
What is the InChIKey of 5-[(1R,3R)-3-(2,3-dihydro-1H-inden-4-yl)-2,2-dimethylcyclopropyl]-1,2,4-oxadiazol-3-amine?
The InChIKey is ICABVYZEPBHTQV-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H19N3O/c1-16(2)12(13(16)14-18-15(17)19-20-14)11-8-4-6-9-5-3-7-10(9)11/h4,6,8,12-13H,3,5,7H2,1-2H3,(H2,17,19)/t12-,13+/m1/s1.
What are the key properties of 5-[(1R,3R)-3-(2,3-dihydro-1H-inden-4-yl)-2,2-dimethylcyclopropyl]-1,2,4-oxadiazol-3-amine?
5-[(1R,3R)-3-(2,3-dihydro-1H-inden-4-yl)-2,2-dimethylcyclopropyl]-1,2,4-oxadiazol-3-amine has a molecular weight of 269.35 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,3R)-3-(2,3-dihydro-1H-inden-4-yl)-2,2-dimethylcyclopropyl]-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 142058094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).