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

C13H14N4O — CID 106391408

IUPAC1-(1H-indol-3-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
SMILESCc1nc(CNCc2c[nH]c3ccccc23)no1
InChIInChI=1S/C13H14N4O/c1-9-16-13(17-18-9)8-14-6-10-7-15-12-5-3-2-4-11(10)12/h2-5,7,14-15H,6,8H2,1H3
InChIKeyUFDCHAQBHBGKMQ-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.15
Rot. Bonds4

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

1-(1H-indol-3-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine (PubChem CID 106391408) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
PubChem CID106391408
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name1-(1H-indol-3-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
SMILESCc1nc(CNCc2c[nH]c3ccccc23)no1
InChIInChI=1S/C13H14N4O/c1-9-16-13(17-18-9)8-14-6-10-7-15-12-5-3-2-4-11(10)12/h2-5,7,14-15H,6,8H2,1H3
InChIKeyUFDCHAQBHBGKMQ-UHFFFAOYSA-N
XLogP2.15
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-indol-3-ylmethyl)-1-(3-methyl-1,2-oxazol-5-yl)methanamine
CID 62325414
4-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]benzene-1,3-diol
CID 114078696
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide
CID 111601939
1-(2-ethoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 113248221
(1H-indol-3-ylmethylamino)methanol
CID 115228988
N-(1H-indol-3-ylmethyl)-1-(3-phenyl-1,2-oxazol-5-yl)methanamine;hydrochloride
CID 127031235
2-(1H-indol-3-ylmethyl)-1,1-dimethylhydrazine
CID 83003617
N-(1H-indol-3-ylmethyl)-1-naphthalen-2-ylmethanamine
CID 70211742
2-bromo-6-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]phenol
CID 107234134
N'-hydroxy-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]benzenecarboximidamide
CID 106400077
1-(2-bromo-4-methylphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 114078725
2-(2-hydroxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 113238378

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(1H-indol-3-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine (CID 106391408) is 1-(1H-indol-3-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(1H-indol-3-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(1H-indol-3-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine is Cc1nc(CNCc2c[nH]c3ccccc23)no1.
What is the InChIKey of 1-(1H-indol-3-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The InChIKey is UFDCHAQBHBGKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-9-16-13(17-18-9)8-14-6-10-7-15-12-5-3-2-4-11(10)12/h2-5,7,14-15H,6,8H2,1H3.
What are the key properties of 1-(1H-indol-3-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
1-(1H-indol-3-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine has a molecular weight of 242.28 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine is sourced from PubChem (CID 106391408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).