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

C16H20N4O — CID 77078857

IUPACN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-(1H-indol-4-ylmethyl)ethanamine
SMILESCCc1noc(CN(CC)Cc2cccc3[nH]ccc23)n1
InChIInChI=1S/C16H20N4O/c1-3-15-18-16(21-19-15)11-20(4-2)10-12-6-5-7-14-13(12)8-9-17-14/h5-9,17H,3-4,10-11H2,1-2H3
InChIKeyFQLCSEDJRYZYMY-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.14
Rot. Bonds6

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

N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-(1H-indol-4-ylmethyl)ethanamine (PubChem CID 77078857) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-(1H-indol-4-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-(1H-indol-4-ylmethyl)ethanamine
PubChem CID77078857
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-(1H-indol-4-ylmethyl)ethanamine
SMILESCCc1noc(CN(CC)Cc2cccc3[nH]ccc23)n1
InChIInChI=1S/C16H20N4O/c1-3-15-18-16(21-19-15)11-20(4-2)10-12-6-5-7-14-13(12)8-9-17-14/h5-9,17H,3-4,10-11H2,1-2H3
InChIKeyFQLCSEDJRYZYMY-UHFFFAOYSA-N
XLogP3.14
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
3-(1H-indol-4-yl)-N-(3-methoxypropyl)-1,2,4-oxadiazole-5-carboxamide
CID 42571591
1-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[(7-methyl-1H-benzimidazol-2-yl)methyl]methanamine
CID 16188296
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
2-[5-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-3-yl]-N,N-dimethylethanamine
CID 10452058

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-(1H-indol-4-ylmethyl)ethanamine?
The IUPAC name of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-(1H-indol-4-ylmethyl)ethanamine (CID 77078857) is N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-(1H-indol-4-ylmethyl)ethanamine.
What is the SMILES notation for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-(1H-indol-4-ylmethyl)ethanamine?
The canonical SMILES for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-(1H-indol-4-ylmethyl)ethanamine is CCc1noc(CN(CC)Cc2cccc3[nH]ccc23)n1.
What is the InChIKey of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-(1H-indol-4-ylmethyl)ethanamine?
The InChIKey is FQLCSEDJRYZYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-3-15-18-16(21-19-15)11-20(4-2)10-12-6-5-7-14-13(12)8-9-17-14/h5-9,17H,3-4,10-11H2,1-2H3.
What are the key properties of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-(1H-indol-4-ylmethyl)ethanamine?
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-(1H-indol-4-ylmethyl)ethanamine has a molecular weight of 284.36 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-(1H-indol-4-ylmethyl)ethanamine is sourced from PubChem (CID 77078857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).