5-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-1,2,4-oxadiazol-3-amine

C14H17N5O — CID 10355831

IUPAC5-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-1,2,4-oxadiazol-3-amine
SMILESNCCc1c[nH]c2ccc(CCc3nc(N)no3)cc12
InChIInChI=1S/C14H17N5O/c15-6-5-10-8-17-12-3-1-9(7-11(10)12)2-4-13-18-14(16)19-20-13/h1,3,7-8,17H,2,4-6,15H2,(H2,16,19)
InChIKeyDDIZYNRXZAIGGG-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.42
Rot. Bonds5

About 5-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-1,2,4-oxadiazol-3-amine

5-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-1,2,4-oxadiazol-3-amine (PubChem CID 10355831) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-1,2,4-oxadiazol-3-amine
PubChem CID10355831
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name5-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-1,2,4-oxadiazol-3-amine
SMILESNCCc1c[nH]c2ccc(CCc3nc(N)no3)cc12
InChIInChI=1S/C14H17N5O/c15-6-5-10-8-17-12-3-1-9(7-11(10)12)2-4-13-18-14(16)19-20-13/h1,3,7-8,17H,2,4-6,15H2,(H2,16,19)
InChIKeyDDIZYNRXZAIGGG-UHFFFAOYSA-N
XLogP1.42
TPSA106.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-1,2,4-oxadiazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]acetamide
CID 9976750
4-[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylbenzamide
CID 10383965
2-[5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine
CID 9927016
2-[5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]-N,N-dimethylethanamine
CID 9974915
2-[5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indol-3-yl]ethanamine
CID 9996008
N-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 10063319
2-[5-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]ethanamine
CID 10067088
N-[4-[[5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]acetamide
CID 10068921
N-[4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide
CID 10094731
2-[5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]ethanamine
CID 10107953
N-[4-[[5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]methanesulfonamide
CID 10251827
5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-amine
CID 10265207

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-1,2,4-oxadiazol-3-amine (CID 10355831) is 5-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-1,2,4-oxadiazol-3-amine is NCCc1c[nH]c2ccc(CCc3nc(N)no3)cc12.
What is the InChIKey of 5-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-1,2,4-oxadiazol-3-amine?
The InChIKey is DDIZYNRXZAIGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c15-6-5-10-8-17-12-3-1-9(7-11(10)12)2-4-13-18-14(16)19-20-13/h1,3,7-8,17H,2,4-6,15H2,(H2,16,19).
What are the key properties of 5-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-1,2,4-oxadiazol-3-amine?
5-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-1,2,4-oxadiazol-3-amine has a molecular weight of 271.32 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 10355831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).