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

C22H23N5O2 — CID 10068921

IUPACN-[4-[[5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cc2noc(Cc3ccc4[nH]cc(CCN)c4c3)n2)cc1
InChIInChI=1S/C22H23N5O2/c1-14(28)25-18-5-2-15(3-6-18)11-21-26-22(29-27-21)12-16-4-7-20-19(10-16)17(8-9-23)13-24-20/h2-7,10,13,24H,8-9,11-12,23H2,1H3,(H,25,28)
InChIKeyOOLWBBTZIFDOEN-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.19
Rot. Bonds7

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

N-[4-[[5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]acetamide (PubChem CID 10068921) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[4-[[5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]acetamide
PubChem CID10068921
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-[4-[[5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cc2noc(Cc3ccc4[nH]cc(CCN)c4c3)n2)cc1
InChIInChI=1S/C22H23N5O2/c1-14(28)25-18-5-2-15(3-6-18)11-21-26-22(29-27-21)12-16-4-7-20-19(10-16)17(8-9-23)13-24-20/h2-7,10,13,24H,8-9,11-12,23H2,1H3,(H,25,28)
InChIKeyOOLWBBTZIFDOEN-UHFFFAOYSA-N
XLogP3.19
TPSA109.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-(5-(3-(4-(Methylsulfonylamino)benzyl)-1,2,4-oxadiazol-5-yl)-1H-indole-3-yl)ethylamine
CID 132059
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-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-indol-3-yl]ethanamine
CID 11725312
4-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]-N-methylbenzenesulfonamide
CID 11742355
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
N-[4-[[5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]methanesulfonamide
CID 9980618
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-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide
CID 10094731

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]acetamide (CID 10068921) is N-[4-[[5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(Cc2noc(Cc3ccc4[nH]cc(CCN)c4c3)n2)cc1.
What is the InChIKey of N-[4-[[5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]acetamide?
The InChIKey is OOLWBBTZIFDOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-14(28)25-18-5-2-15(3-6-18)11-21-26-22(29-27-21)12-16-4-7-20-19(10-16)17(8-9-23)13-24-20/h2-7,10,13,24H,8-9,11-12,23H2,1H3,(H,25,28).
What are the key properties of N-[4-[[5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]acetamide?
N-[4-[[5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]acetamide has a molecular weight of 389.46 g/mol, XLogP of 3.19, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 10068921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).