N,N-dimethyl-2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine

C15H18N4O — CID 14810848

IUPACN,N-dimethyl-2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCN(C)CCc1nc(-c2cn(C)c3ccccc23)no1
InChIInChI=1S/C15H18N4O/c1-18(2)9-8-14-16-15(17-20-14)12-10-19(3)13-7-5-4-6-11(12)13/h4-7,10H,8-9H2,1-3H3
InChIKeyAVEBCHZFMXCIIB-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.33
Rot. Bonds4

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

N,N-dimethyl-2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 14810848) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID14810848
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN,N-dimethyl-2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCN(C)CCc1nc(-c2cn(C)c3ccccc23)no1
InChIInChI=1S/C15H18N4O/c1-18(2)9-8-14-16-15(17-20-14)12-10-19(3)13-7-5-4-6-11(12)13/h4-7,10H,8-9H2,1-3H3
InChIKeyAVEBCHZFMXCIIB-UHFFFAOYSA-N
XLogP2.33
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 14810848) is N,N-dimethyl-2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine is CN(C)CCc1nc(-c2cn(C)c3ccccc23)no1.
What is the InChIKey of N,N-dimethyl-2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is AVEBCHZFMXCIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-18(2)9-8-14-16-15(17-20-14)12-10-19(3)13-7-5-4-6-11(12)13/h4-7,10H,8-9H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
N,N-dimethyl-2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 270.34 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 14810848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).