N-methyl-N-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydro-1H-inden-1-amine

C19H21N3OS — CID 134052194

IUPACN-methyl-N-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydro-1H-inden-1-amine
SMILESCN(CCCc1nc(-c2cccs2)no1)C1CCc2ccccc21
InChIInChI=1S/C19H21N3OS/c1-22(16-11-10-14-6-2-3-7-15(14)16)12-4-9-18-20-19(21-23-18)17-8-5-13-24-17/h2-3,5-8,13,16H,4,9-12H2,1H3
InChIKeyNAJMPUJUBKYUNH-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.35
Rot. Bonds6

About N-methyl-N-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydro-1H-inden-1-amine

N-methyl-N-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 134052194) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is N-methyl-N-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-methyl-N-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID134052194
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC NameN-methyl-N-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydro-1H-inden-1-amine
SMILESCN(CCCc1nc(-c2cccs2)no1)C1CCc2ccccc21
InChIInChI=1S/C19H21N3OS/c1-22(16-11-10-14-6-2-3-7-15(14)16)12-4-9-18-20-19(21-23-18)17-8-5-13-24-17/h2-3,5-8,13,16H,4,9-12H2,1H3
InChIKeyNAJMPUJUBKYUNH-UHFFFAOYSA-N
XLogP4.35
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylbutan-2-yl)-N-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]cyclopropanamine
CID 60504043
1-[4-[[methyl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]amino]methyl]piperidin-1-yl]propan-2-ol
CID 86895118
N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 134039099
N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 42923902
4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanal
CID 130369057
1-cyclopropyl-N-ethyl-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 63347362
1-[(1S)-1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 97081963
[1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidin-4-yl]methanol
CID 60500930
N-methyl-1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-4-carboxamide
CID 35318189
N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride
CID 119913147
N'-(2,3-dihydro-1H-inden-1-yl)-N'-methylethane-1,2-diamine
CID 62682207
5-[2-(dimethylsulfamoylamino)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 110323234

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-methyl-N-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydro-1H-inden-1-amine (CID 134052194) is N-methyl-N-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-methyl-N-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-methyl-N-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydro-1H-inden-1-amine is CN(CCCc1nc(-c2cccs2)no1)C1CCc2ccccc21.
What is the InChIKey of N-methyl-N-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is NAJMPUJUBKYUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-22(16-11-10-14-6-2-3-7-15(14)16)12-4-9-18-20-19(21-23-18)17-8-5-13-24-17/h2-3,5-8,13,16H,4,9-12H2,1H3.
What are the key properties of N-methyl-N-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydro-1H-inden-1-amine?
N-methyl-N-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 339.46 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 134052194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).