N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methyl]cyclopropanamine

C16H18N4O — CID 66401134

IUPACN-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methyl]cyclopropanamine
SMILESCc1noc(Cn2cc(CNC3CC3)c3ccccc32)n1
InChIInChI=1S/C16H18N4O/c1-11-18-16(21-19-11)10-20-9-12(8-17-13-6-7-13)14-4-2-3-5-15(14)20/h2-5,9,13,17H,6-8,10H2,1H3
InChIKeyGQQLHLBOOWEZKX-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.63
Rot. Bonds5

About N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methyl]cyclopropanamine

N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methyl]cyclopropanamine (PubChem CID 66401134) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methyl]cyclopropanamine
PubChem CID66401134
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methyl]cyclopropanamine
SMILESCc1noc(Cn2cc(CNC3CC3)c3ccccc32)n1
InChIInChI=1S/C16H18N4O/c1-11-18-16(21-19-11)10-20-9-12(8-17-13-6-7-13)14-4-2-3-5-15(14)20/h2-5,9,13,17H,6-8,10H2,1H3
InChIKeyGQQLHLBOOWEZKX-UHFFFAOYSA-N
XLogP2.63
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanamine
CID 66407282
N-[[1-(ethoxymethyl)indol-3-yl]methyl]cyclopropanamine
CID 66401135
N-[(1-ethylindol-3-yl)methyl]cyclooctanamine
CID 29228709
N-[[1-(2-pyrrolidin-1-ylethyl)indol-3-yl]methyl]cyclopropanamine
CID 66402698
ethyl 2-[3-[(cyclopropylamino)methyl]indol-1-yl]acetate
CID 58005918
N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]cycloheptanamine
CID 124895925
N-[[3-fluoro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 115953557
[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanol
CID 66397796
[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanol
CID 66399089
N-methyl-1-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methanamine
CID 66407767
2-[3-[(cyclopropylamino)methyl]indol-1-yl]-N-ethyl-N-methylacetamide
CID 66403280
N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]cycloheptanamine
CID 124895563

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methyl]cyclopropanamine (CID 66401134) is N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methyl]cyclopropanamine is Cc1noc(Cn2cc(CNC3CC3)c3ccccc32)n1.
What is the InChIKey of N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methyl]cyclopropanamine?
The InChIKey is GQQLHLBOOWEZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-11-18-16(21-19-11)10-20-9-12(8-17-13-6-7-13)14-4-2-3-5-15(14)20/h2-5,9,13,17H,6-8,10H2,1H3.
What are the key properties of N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methyl]cyclopropanamine?
N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methyl]cyclopropanamine has a molecular weight of 282.35 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66401134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).