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

C15H18N4O — CID 66409730

IUPACN-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2noc(C)n2)c2ccccc12
InChIInChI=1S/C15H18N4O/c1-3-16-8-12-9-19(10-15-17-11(2)20-18-15)14-7-5-4-6-13(12)14/h4-7,9,16H,3,8,10H2,1-2H3
InChIKeyPWDAPGXBCZDYCM-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.49
Rot. Bonds5

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

N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methyl]ethanamine (PubChem CID 66409730) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methyl]ethanamine
PubChem CID66409730
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2noc(C)n2)c2ccccc12
InChIInChI=1S/C15H18N4O/c1-3-16-8-12-9-19(10-15-17-11(2)20-18-15)14-7-5-4-6-13(12)14/h4-7,9,16H,3,8,10H2,1-2H3
InChIKeyPWDAPGXBCZDYCM-UHFFFAOYSA-N
XLogP2.49
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(pyrimidin-2-ylmethyl)indol-3-yl]methyl]ethanamine
CID 66409737
N-methyl-1-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methanamine
CID 66407767
N-methyl-1-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methanamine
CID 66408642
[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanol
CID 66397796
2-[3-(ethylaminomethyl)indol-1-yl]-N,N-dimethylethanamine
CID 66409955
2-[3-(ethylaminomethyl)indol-1-yl]ethanol
CID 66409741
3-[3-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine
CID 71025575
N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 62222505
N-[[1-[(5-bromo-3-pyridinyl)methyl]indol-3-yl]methyl]ethanamine
CID 104801202
2-[3-(ethylaminomethyl)indol-1-yl]acetamide
CID 66409295
N-[[1-[(4-methylmorpholin-2-yl)methyl]indol-3-yl]methyl]ethanamine
CID 79171525
N'-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-N-ethylpropane-1,3-diamine
CID 17215780

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methyl]ethanamine (CID 66409730) is N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methyl]ethanamine is CCNCc1cn(Cc2noc(C)n2)c2ccccc12.
What is the InChIKey of N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methyl]ethanamine?
The InChIKey is PWDAPGXBCZDYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-3-16-8-12-9-19(10-15-17-11(2)20-18-15)14-7-5-4-6-13(12)14/h4-7,9,16H,3,8,10H2,1-2H3.
What are the key properties of N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methyl]ethanamine?
N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methyl]ethanamine has a molecular weight of 270.34 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methyl]ethanamine is sourced from PubChem (CID 66409730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).