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

C16H20N4O — CID 66407767

IUPACN-methyl-1-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methanamine
SMILESCCCc1nc(Cn2cc(CNC)c3ccccc32)no1
InChIInChI=1S/C16H20N4O/c1-3-6-16-18-15(19-21-16)11-20-10-12(9-17-2)13-7-4-5-8-14(13)20/h4-5,7-8,10,17H,3,6,9,11H2,1-2H3
InChIKeyDZLLTSCECWMHFZ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.74
Rot. Bonds6

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

N-methyl-1-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methanamine (PubChem CID 66407767) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-methyl-1-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methanamine
PubChem CID66407767
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-methyl-1-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methanamine
SMILESCCCc1nc(Cn2cc(CNC)c3ccccc32)no1
InChIInChI=1S/C16H20N4O/c1-3-6-16-18-15(19-21-16)11-20-10-12(9-17-2)13-7-4-5-8-14(13)20/h4-5,7-8,10,17H,3,6,9,11H2,1-2H3
InChIKeyDZLLTSCECWMHFZ-UHFFFAOYSA-N
XLogP2.74
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methanamine (CID 66407767) is N-methyl-1-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methanamine is CCCc1nc(Cn2cc(CNC)c3ccccc32)no1.
What is the InChIKey of N-methyl-1-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methanamine?
The InChIKey is DZLLTSCECWMHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-3-6-16-18-15(19-21-16)11-20-10-12(9-17-2)13-7-4-5-8-14(13)20/h4-5,7-8,10,17H,3,6,9,11H2,1-2H3.
What are the key properties of N-methyl-1-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methanamine?
N-methyl-1-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methanamine has a molecular weight of 284.36 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methanamine is sourced from PubChem (CID 66407767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).