N-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]acetamide

C15H17N5O2 — CID 10063319

IUPACN-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]acetamide
SMILESCC(=O)NCc1noc(-c2ccc3[nH]cc(CCN)c3c2)n1
InChIInChI=1S/C15H17N5O2/c1-9(21)17-8-14-19-15(22-20-14)10-2-3-13-12(6-10)11(4-5-16)7-18-13/h2-3,6-7,18H,4-5,8,16H2,1H3,(H,17,21)
InChIKeyIOLHLQDKROZOOC-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.36
Rot. Bonds5

About N-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]acetamide

N-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]acetamide (PubChem CID 10063319) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]acetamide
PubChem CID10063319
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC NameN-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]acetamide
SMILESCC(=O)NCc1noc(-c2ccc3[nH]cc(CCN)c3c2)n1
InChIInChI=1S/C15H17N5O2/c1-9(21)17-8-14-19-15(22-20-14)10-2-3-13-12(6-10)11(4-5-16)7-18-13/h2-3,6-7,18H,4-5,8,16H2,1H3,(H,17,21)
InChIKeyIOLHLQDKROZOOC-UHFFFAOYSA-N
XLogP1.36
TPSA109.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]methanesulfonamide;hydrate
CID 23581822
N-[4-[[5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]acetamide
CID 19023034
4-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 19023002
tert-butyl N-[2-[5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate
CID 19022933
5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 19022935
oxalic acid;2-(5-pyridin-4-yl-1H-indol-3-yl)ethanamine
CID 67816242
N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylacetamide
CID 53098206
3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 69014970
3-(2-aminoethyl)-1H-indol-5-ol;deuterium monohydride;methane;N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide;hydrochloride
CID 158992514
N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylacetamide
CID 50755617
1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 86886216
2-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 81476100

Frequently Asked Questions

What is the IUPAC name of N-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]acetamide?
The IUPAC name of N-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]acetamide (CID 10063319) is N-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]acetamide is CC(=O)NCc1noc(-c2ccc3[nH]cc(CCN)c3c2)n1.
What is the InChIKey of N-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]acetamide?
The InChIKey is IOLHLQDKROZOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-9(21)17-8-14-19-15(22-20-14)10-2-3-13-12(6-10)11(4-5-16)7-18-13/h2-3,6-7,18H,4-5,8,16H2,1H3,(H,17,21).
What are the key properties of N-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]acetamide?
N-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]acetamide has a molecular weight of 299.33 g/mol, XLogP of 1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]acetamide is sourced from PubChem (CID 10063319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).