1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2,3-dihydroindol-7-amine

C15H20N4O — CID 114456594

IUPAC1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2,3-dihydroindol-7-amine
SMILESCC(C)Cc1nc(CN2CCc3cccc(N)c32)no1
InChIInChI=1S/C15H20N4O/c1-10(2)8-14-17-13(18-20-14)9-19-7-6-11-4-3-5-12(16)15(11)19/h3-5,10H,6-9,16H2,1-2H3
InChIKeyVJLNUVXDTLZJAT-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.41
Rot. Bonds4

About 1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2,3-dihydroindol-7-amine

1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2,3-dihydroindol-7-amine (PubChem CID 114456594) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2,3-dihydroindol-7-amine.

Molecular Properties

Compound Name1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2,3-dihydroindol-7-amine
PubChem CID114456594
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2,3-dihydroindol-7-amine
SMILESCC(C)Cc1nc(CN2CCc3cccc(N)c32)no1
InChIInChI=1S/C15H20N4O/c1-10(2)8-14-17-13(18-20-14)9-19-7-6-11-4-3-5-12(16)15(11)19/h3-5,10H,6-9,16H2,1-2H3
InChIKeyVJLNUVXDTLZJAT-UHFFFAOYSA-N
XLogP2.41
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524197
[3-[(7-methyl-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120752275
1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine
CID 61496237
1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2,3-dihydroindol-7-amine
CID 114456583
1-[(2,6-difluorophenyl)methyl]-2,3-dihydroindol-7-amine
CID 114930849
3-chloro-2-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]aniline
CID 43304587
N-methyl-2-[5-[(7-methyl-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]acetamide
CID 146090738
3-(7-amino-2,3-dihydroindol-1-yl)-2-methylpropanoic acid
CID 114456468
1-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-7-amine
CID 114456237
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,3-dihydroindol-7-amine
CID 114456196
1-[(3-propylimidazol-4-yl)methyl]-2,3-dihydroindol-7-amine
CID 114456381
2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydroisoquinolin-1-one
CID 115773462

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2,3-dihydroindol-7-amine?
The IUPAC name of 1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2,3-dihydroindol-7-amine (CID 114456594) is 1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2,3-dihydroindol-7-amine.
What is the SMILES notation for 1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2,3-dihydroindol-7-amine?
The canonical SMILES for 1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2,3-dihydroindol-7-amine is CC(C)Cc1nc(CN2CCc3cccc(N)c32)no1.
What is the InChIKey of 1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2,3-dihydroindol-7-amine?
The InChIKey is VJLNUVXDTLZJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10(2)8-14-17-13(18-20-14)9-19-7-6-11-4-3-5-12(16)15(11)19/h3-5,10H,6-9,16H2,1-2H3.
What are the key properties of 1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2,3-dihydroindol-7-amine?
1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2,3-dihydroindol-7-amine has a molecular weight of 272.35 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2,3-dihydroindol-7-amine is sourced from PubChem (CID 114456594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).