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

C15H18N4O — CID 136829647

IUPAC2-[5-(3,5-dimethyl-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
SMILESCNCCc1noc(-c2[nH]c3ccc(C)cc3c2C)n1
InChIInChI=1S/C15H18N4O/c1-9-4-5-12-11(8-9)10(2)14(17-12)15-18-13(19-20-15)6-7-16-3/h4-5,8,16-17H,6-7H2,1-3H3
InChIKeyUASINWWRSCANFI-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.60
Rot. Bonds4

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

2-[5-(3,5-dimethyl-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine (PubChem CID 136829647) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-[5-(3,5-dimethyl-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[5-(3,5-dimethyl-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
PubChem CID136829647
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-[5-(3,5-dimethyl-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
SMILESCNCCc1noc(-c2[nH]c3ccc(C)cc3c2C)n1
InChIInChI=1S/C15H18N4O/c1-9-4-5-12-11(8-9)10(2)14(17-12)15-18-13(19-20-15)6-7-16-3/h4-5,8,16-17H,6-7H2,1-3H3
InChIKeyUASINWWRSCANFI-UHFFFAOYSA-N
XLogP2.60
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-[5-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 62343088
2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 25220755
2-(3,5-dimethyl-1H-indol-2-yl)-1,3,4-oxadiazole
CID 137234832
2-[5-(4,6-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 114269679
N-methyl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 25220757
N-methyl-2-[5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 106754029
2-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 62343277
1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 62337907
N-methyl-2-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 65199032
2-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 62344085
N-methyl-3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115079264
N-methyl-2-(5-methyl-2,1-benzoxazol-3-yl)ethanamine
CID 105444370

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,5-dimethyl-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine?
The IUPAC name of 2-[5-(3,5-dimethyl-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine (CID 136829647) is 2-[5-(3,5-dimethyl-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine.
What is the SMILES notation for 2-[5-(3,5-dimethyl-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine?
The canonical SMILES for 2-[5-(3,5-dimethyl-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine is CNCCc1noc(-c2[nH]c3ccc(C)cc3c2C)n1.
What is the InChIKey of 2-[5-(3,5-dimethyl-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine?
The InChIKey is UASINWWRSCANFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-9-4-5-12-11(8-9)10(2)14(17-12)15-18-13(19-20-15)6-7-16-3/h4-5,8,16-17H,6-7H2,1-3H3.
What are the key properties of 2-[5-(3,5-dimethyl-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine?
2-[5-(3,5-dimethyl-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine has a molecular weight of 270.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,5-dimethyl-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine is sourced from PubChem (CID 136829647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).