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

C14H16N4O — CID 102915750

IUPACN-methyl-1-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-5-yl]methanamine
SMILESCNCc1ccc2c(ccn2Cc2nonc2C)c1
InChIInChI=1S/C14H16N4O/c1-10-13(17-19-16-10)9-18-6-5-12-7-11(8-15-2)3-4-14(12)18/h3-7,15H,8-9H2,1-2H3
InChIKeySGACRADTBZBILE-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.10
Rot. Bonds4

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

N-methyl-1-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-5-yl]methanamine (PubChem CID 102915750) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N-methyl-1-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-5-yl]methanamine
PubChem CID102915750
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN-methyl-1-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-5-yl]methanamine
SMILESCNCc1ccc2c(ccn2Cc2nonc2C)c1
InChIInChI=1S/C14H16N4O/c1-10-13(17-19-16-10)9-18-6-5-12-7-11(8-15-2)3-4-14(12)18/h3-7,15H,8-9H2,1-2H3
InChIKeySGACRADTBZBILE-UHFFFAOYSA-N
XLogP2.10
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.10
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-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-5-yl]methanamine (CID 102915750) is N-methyl-1-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-5-yl]methanamine is CNCc1ccc2c(ccn2Cc2nonc2C)c1.
What is the InChIKey of N-methyl-1-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-5-yl]methanamine?
The InChIKey is SGACRADTBZBILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-10-13(17-19-16-10)9-18-6-5-12-7-11(8-15-2)3-4-14(12)18/h3-7,15H,8-9H2,1-2H3.
What are the key properties of N-methyl-1-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-5-yl]methanamine?
N-methyl-1-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-5-yl]methanamine has a molecular weight of 256.31 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-5-yl]methanamine is sourced from PubChem (CID 102915750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).