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

C23H25N5O2 — CID 10431279

IUPAC4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2noc(Cc3ccc4[nH]cc(CCN(C)C)c4c3)n2)cc1
InChIInChI=1S/C23H25N5O2/c1-24-23(29)17-7-5-16(6-8-17)22-26-21(30-27-22)13-15-4-9-20-19(12-15)18(14-25-20)10-11-28(2)3/h4-9,12,14,25H,10-11,13H2,1-3H3,(H,24,29)
InChIKeyPRTCSIDNPRTJHA-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.27
Rot. Bonds7

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

4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylbenzamide (PubChem CID 10431279) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylbenzamide
PubChem CID10431279
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2noc(Cc3ccc4[nH]cc(CCN(C)C)c4c3)n2)cc1
InChIInChI=1S/C23H25N5O2/c1-24-23(29)17-7-5-16(6-8-17)22-26-21(30-27-22)13-15-4-9-20-19(12-15)18(14-25-20)10-11-28(2)3/h4-9,12,14,25H,10-11,13H2,1-3H3,(H,24,29)
InChIKeyPRTCSIDNPRTJHA-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylbenzamide?
The IUPAC name of 4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylbenzamide (CID 10431279) is 4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylbenzamide.
What is the SMILES notation for 4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylbenzamide?
The canonical SMILES for 4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylbenzamide is CNC(=O)c1ccc(-c2noc(Cc3ccc4[nH]cc(CCN(C)C)c4c3)n2)cc1.
What is the InChIKey of 4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylbenzamide?
The InChIKey is PRTCSIDNPRTJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-24-23(29)17-7-5-16(6-8-17)22-26-21(30-27-22)13-15-4-9-20-19(12-15)18(14-25-20)10-11-28(2)3/h4-9,12,14,25H,10-11,13H2,1-3H3,(H,24,29).
What are the key properties of 4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylbenzamide?
4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylbenzamide has a molecular weight of 403.49 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylbenzamide is sourced from PubChem (CID 10431279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).