N-[[1-(1,2,4-oxadiazol-3-ylmethyl)indol-6-yl]methyl]propan-1-amine

C15H18N4O — CID 102916807

IUPACN-[[1-(1,2,4-oxadiazol-3-ylmethyl)indol-6-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc2ccn(Cc3ncon3)c2c1
InChIInChI=1S/C15H18N4O/c1-2-6-16-9-12-3-4-13-5-7-19(14(13)8-12)10-15-17-11-20-18-15/h3-5,7-8,11,16H,2,6,9-10H2,1H3
InChIKeyOYERVBWREZTQJJ-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.57
Rot. Bonds6

About N-[[1-(1,2,4-oxadiazol-3-ylmethyl)indol-6-yl]methyl]propan-1-amine

N-[[1-(1,2,4-oxadiazol-3-ylmethyl)indol-6-yl]methyl]propan-1-amine (PubChem CID 102916807) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[[1-(1,2,4-oxadiazol-3-ylmethyl)indol-6-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(1,2,4-oxadiazol-3-ylmethyl)indol-6-yl]methyl]propan-1-amine
PubChem CID102916807
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-[[1-(1,2,4-oxadiazol-3-ylmethyl)indol-6-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc2ccn(Cc3ncon3)c2c1
InChIInChI=1S/C15H18N4O/c1-2-6-16-9-12-3-4-13-5-7-19(14(13)8-12)10-15-17-11-20-18-15/h3-5,7-8,11,16H,2,6,9-10H2,1H3
InChIKeyOYERVBWREZTQJJ-UHFFFAOYSA-N
XLogP2.57
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-[1-(1,2,4-oxadiazol-3-ylmethyl)indol-6-yl]methanamine
CID 102916629
N-[[1-(pyridin-4-ylmethyl)indol-6-yl]methyl]propan-1-amine
CID 102916765
N-[[1-[(1-methylimidazol-2-yl)methyl]indol-6-yl]methyl]propan-1-amine
CID 102916816
3-[(6-chloroindol-1-yl)methyl]-1,2,4-oxadiazole
CID 116620553
N-[[1-(1,2,4-oxadiazol-3-ylmethyl)indol-5-yl]methyl]propan-2-amine
CID 102916137
N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indol-5-yl]methyl]propan-1-amine
CID 102916032
N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-6-yl]methyl]ethanamine
CID 102916721
N-[[1-(cyclopropylmethoxymethyl)indol-6-yl]methyl]propan-1-amine
CID 106930226
N-[[4-nitro-3-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 62115342
2-methoxy-N-[[1-(1,3-thiazol-4-ylmethyl)indol-6-yl]methyl]ethanamine
CID 102917030
N-[[1-[(3-ethylimidazol-4-yl)methyl]indol-6-yl]methyl]ethanamine
CID 102916726
1-naphthalen-2-yl-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 114183090

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,2,4-oxadiazol-3-ylmethyl)indol-6-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(1,2,4-oxadiazol-3-ylmethyl)indol-6-yl]methyl]propan-1-amine (CID 102916807) is N-[[1-(1,2,4-oxadiazol-3-ylmethyl)indol-6-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(1,2,4-oxadiazol-3-ylmethyl)indol-6-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(1,2,4-oxadiazol-3-ylmethyl)indol-6-yl]methyl]propan-1-amine is CCCNCc1ccc2ccn(Cc3ncon3)c2c1.
What is the InChIKey of N-[[1-(1,2,4-oxadiazol-3-ylmethyl)indol-6-yl]methyl]propan-1-amine?
The InChIKey is OYERVBWREZTQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-2-6-16-9-12-3-4-13-5-7-19(14(13)8-12)10-15-17-11-20-18-15/h3-5,7-8,11,16H,2,6,9-10H2,1H3.
What are the key properties of N-[[1-(1,2,4-oxadiazol-3-ylmethyl)indol-6-yl]methyl]propan-1-amine?
N-[[1-(1,2,4-oxadiazol-3-ylmethyl)indol-6-yl]methyl]propan-1-amine has a molecular weight of 270.34 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,2,4-oxadiazol-3-ylmethyl)indol-6-yl]methyl]propan-1-amine is sourced from PubChem (CID 102916807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).