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

C16H20N4O — CID 14810794

IUPACN,N-dimethyl-3-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCN(C)CCCc1nc(-c2cn(C)c3ccccc23)no1
InChIInChI=1S/C16H20N4O/c1-19(2)10-6-9-15-17-16(18-21-15)13-11-20(3)14-8-5-4-7-12(13)14/h4-5,7-8,11H,6,9-10H2,1-3H3
InChIKeyODRMTVRXFPHOFH-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.72
Rot. Bonds5

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

N,N-dimethyl-3-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 14810794) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID14810794
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN,N-dimethyl-3-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCN(C)CCCc1nc(-c2cn(C)c3ccccc23)no1
InChIInChI=1S/C16H20N4O/c1-19(2)10-6-9-15-17-16(18-21-15)13-11-20(3)14-8-5-4-7-12(13)14/h4-5,7-8,11H,6,9-10H2,1-3H3
InChIKeyODRMTVRXFPHOFH-UHFFFAOYSA-N
XLogP2.72
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Trimethyl-[[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]azanium iodide
CID 9978162
(2S)-2-[3-(1-dodecylindol-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide;hydrochloride
CID 161707308
(2S)-2-[3-(1-decylindol-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide;hydrochloride
CID 161868734
(2S)-2-[3-(1-nonylindol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide;hydrochloride
CID 162651780
N-(9-Ethyl-9H-carbazol-3-yl)-3-(3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl)propanamide
CID 25034138
(2S)-2-[3-(1-decylindol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide;hydrochloride
CID 162664253
3-(1-Methylindol-3-yl)-5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole
CID 9818162
N,N-dimethyl-1-[3-(1-methyl-3-indolyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 9921349
2-[5-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]ethanamine
CID 10067088
2-[5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]ethanamine
CID 10107953
5-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]-1,2,4-oxadiazol-3-amine
CID 10380005
N,N-dimethyl-2-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indol-3-yl]ethanamine
CID 10401626

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 14810794) is N,N-dimethyl-3-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine is CN(C)CCCc1nc(-c2cn(C)c3ccccc23)no1.
What is the InChIKey of N,N-dimethyl-3-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is ODRMTVRXFPHOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-19(2)10-6-9-15-17-16(18-21-15)13-11-20(3)14-8-5-4-7-12(13)14/h4-5,7-8,11H,6,9-10H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
N,N-dimethyl-3-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 284.36 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 14810794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).