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

C23H25N5O2 — CID 19023034

IUPACN-[4-[[5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cc2noc(-c3ccc4[nH]cc(CCN(C)C)c4c3)n2)cc1
InChIInChI=1S/C23H25N5O2/c1-15(29)25-19-7-4-16(5-8-19)12-22-26-23(30-27-22)17-6-9-21-20(13-17)18(14-24-21)10-11-28(2)3/h4-9,13-14,24H,10-12H2,1-3H3,(H,25,29)
InChIKeyKXLRETZXZYAVJU-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.87
Rot. Bonds7

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

N-[4-[[5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]acetamide (PubChem CID 19023034) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-[4-[[5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]acetamide
PubChem CID19023034
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC NameN-[4-[[5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cc2noc(-c3ccc4[nH]cc(CCN(C)C)c4c3)n2)cc1
InChIInChI=1S/C23H25N5O2/c1-15(29)25-19-7-4-16(5-8-19)12-22-26-23(30-27-22)17-6-9-21-20(13-17)18(14-24-21)10-11-28(2)3/h4-9,13-14,24H,10-12H2,1-3H3,(H,25,29)
InChIKeyKXLRETZXZYAVJU-UHFFFAOYSA-N
XLogP3.87
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]acetamide (CID 19023034) is N-[4-[[5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(Cc2noc(-c3ccc4[nH]cc(CCN(C)C)c4c3)n2)cc1.
What is the InChIKey of N-[4-[[5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]acetamide?
The InChIKey is KXLRETZXZYAVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-15(29)25-19-7-4-16(5-8-19)12-22-26-23(30-27-22)17-6-9-21-20(13-17)18(14-24-21)10-11-28(2)3/h4-9,13-14,24H,10-12H2,1-3H3,(H,25,29).
What are the key properties of N-[4-[[5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]acetamide?
N-[4-[[5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]acetamide has a molecular weight of 403.49 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 19023034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).