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

C13H14N4O — CID 66407282

IUPAC[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanamine
SMILESCc1noc(Cn2cc(CN)c3ccccc32)n1
InChIInChI=1S/C13H14N4O/c1-9-15-13(18-16-9)8-17-7-10(6-14)11-4-2-3-5-12(11)17/h2-5,7H,6,8,14H2,1H3
InChIKeyJKXYSSDILUKHNN-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.84
Rot. Bonds3

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

[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanamine (PubChem CID 66407282) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is [1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanamine
PubChem CID66407282
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanamine
SMILESCc1noc(Cn2cc(CN)c3ccccc32)n1
InChIInChI=1S/C13H14N4O/c1-9-15-13(18-16-9)8-17-7-10(6-14)11-4-2-3-5-12(11)17/h2-5,7H,6,8,14H2,1H3
InChIKeyJKXYSSDILUKHNN-UHFFFAOYSA-N
XLogP1.84
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanamine?
The IUPAC name of [1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanamine (CID 66407282) is [1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanamine.
What is the SMILES notation for [1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanamine?
The canonical SMILES for [1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanamine is Cc1noc(Cn2cc(CN)c3ccccc32)n1.
What is the InChIKey of [1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanamine?
The InChIKey is JKXYSSDILUKHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-9-15-13(18-16-9)8-17-7-10(6-14)11-4-2-3-5-12(11)17/h2-5,7H,6,8,14H2,1H3.
What are the key properties of [1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanamine?
[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanamine has a molecular weight of 242.28 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanamine is sourced from PubChem (CID 66407282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).