N-[[5-(2,3-dihydroindol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-1-amine

C15H20N4O — CID 106968181

IUPACN-[[5-(2,3-dihydroindol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nnc(N2CCc3ccccc32)o1
InChIInChI=1S/C15H20N4O/c1-11(2)9-16-10-14-17-18-15(20-14)19-8-7-12-5-3-4-6-13(12)19/h3-6,11,16H,7-10H2,1-2H3
InChIKeyHGEGPPVDVGLOLR-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.51
Rot. Bonds5

About N-[[5-(2,3-dihydroindol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-1-amine

N-[[5-(2,3-dihydroindol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 106968181) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[[5-(2,3-dihydroindol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(2,3-dihydroindol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID106968181
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[[5-(2,3-dihydroindol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nnc(N2CCc3ccccc32)o1
InChIInChI=1S/C15H20N4O/c1-11(2)9-16-10-14-17-18-15(20-14)19-8-7-12-5-3-4-6-13(12)19/h3-6,11,16H,7-10H2,1-2H3
InChIKeyHGEGPPVDVGLOLR-UHFFFAOYSA-N
XLogP2.51
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-(2,3-dihydroindol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-1-amine with MolForge

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Related Compounds

N-[[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106961778
1-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-3,4-diol
CID 106967389
N-ethyl-1-[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106961781
N-[[5-(4,4-diethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 106961110
2-methyl-N-[[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 106962739
2-methyl-N-[[5-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 106965895
2-methyl-N-[[5-(1,4-thiazepan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 106959981
N-[[5-(3,4-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 106965328
4-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]piperazine-2,6-dione
CID 106962540
N-[[5-(2,2-dimethylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 106969407
N-[[5-(3-ethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 106964439
2-methyl-N-[[5-(4-propylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 106960422

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,3-dihydroindol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-(2,3-dihydroindol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-1-amine (CID 106968181) is N-[[5-(2,3-dihydroindol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-(2,3-dihydroindol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-(2,3-dihydroindol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1nnc(N2CCc3ccccc32)o1.
What is the InChIKey of N-[[5-(2,3-dihydroindol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is HGEGPPVDVGLOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11(2)9-16-10-14-17-18-15(20-14)19-8-7-12-5-3-4-6-13(12)19/h3-6,11,16H,7-10H2,1-2H3.
What are the key properties of N-[[5-(2,3-dihydroindol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-1-amine?
N-[[5-(2,3-dihydroindol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 272.35 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,3-dihydroindol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 106968181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).