[3-[(7-methyl-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride

C13H17ClN4O — CID 120752275

IUPAC[3-[(7-methyl-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
SMILESCc1cccc2c1N(Cc1noc(CN)n1)CC2.Cl
InChIInChI=1S/C13H16N4O.ClH/c1-9-3-2-4-10-5-6-17(13(9)10)8-11-15-12(7-14)18-16-11;/h2-4H,5-8,14H2,1H3;1H
InChIKeyFERRKMVDUCEHGZ-UHFFFAOYSA-N
MW280.76 g/mol
LogP1.82
Rot. Bonds3

About [3-[(7-methyl-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride

[3-[(7-methyl-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride (PubChem CID 120752275) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is [3-[(7-methyl-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-[(7-methyl-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
PubChem CID120752275
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC Name[3-[(7-methyl-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
SMILESCc1cccc2c1N(Cc1noc(CN)n1)CC2.Cl
InChIInChI=1S/C13H16N4O.ClH/c1-9-3-2-4-10-5-6-17(13(9)10)8-11-15-12(7-14)18-16-11;/h2-4H,5-8,14H2,1H3;1H
InChIKeyFERRKMVDUCEHGZ-UHFFFAOYSA-N
XLogP1.82
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[(7-methyl-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride with MolForge

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Related Compounds

N-methyl-2-[5-[(7-methyl-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]acetamide
CID 146090738
1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2,3-dihydroindol-7-amine
CID 114456594
1-benzyl-7-methyl-2,3-dihydroindole
CID 11020518
N-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide
CID 120751341
3-(7-methyl-2,3-dihydroindol-1-yl)propan-1-amine
CID 83752989
[3-[[4-(2,2,2-trifluoroethyl)-2,3-dihydroquinoxalin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;dihydrochloride
CID 120753031
[3-[(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751433
[3-[(6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752180
[3-[[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120752102
2-[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-N-benzyl-N-methylethanamine;dihydrochloride
CID 120752845
1-(1H-imidazol-2-ylmethyl)-7-methyl-2,3-dihydroindole
CID 24896448
[3-[(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752190

Frequently Asked Questions

What is the IUPAC name of [3-[(7-methyl-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The IUPAC name of [3-[(7-methyl-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride (CID 120752275) is [3-[(7-methyl-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride.
What is the SMILES notation for [3-[(7-methyl-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The canonical SMILES for [3-[(7-methyl-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride is Cc1cccc2c1N(Cc1noc(CN)n1)CC2.Cl.
What is the InChIKey of [3-[(7-methyl-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The InChIKey is FERRKMVDUCEHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O.ClH/c1-9-3-2-4-10-5-6-17(13(9)10)8-11-15-12(7-14)18-16-11;/h2-4H,5-8,14H2,1H3;1H.
What are the key properties of [3-[(7-methyl-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
[3-[(7-methyl-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride has a molecular weight of 280.76 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(7-methyl-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride is sourced from PubChem (CID 120752275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).