N-[3-(diethylamino)propyl]-3-(1H-indol-4-yl)-1,2,4-oxadiazole-5-carboxamide

C18H23N5O2 — CID 42534995

IUPACN-[3-(diethylamino)propyl]-3-(1H-indol-4-yl)-1,2,4-oxadiazole-5-carboxamide
SMILESCCN(CC)CCCNC(=O)c1nc(-c2cccc3[nH]ccc23)no1
InChIInChI=1S/C18H23N5O2/c1-3-23(4-2)12-6-10-20-17(24)18-21-16(22-25-18)14-7-5-8-15-13(14)9-11-19-15/h5,7-9,11,19H,3-4,6,10,12H2,1-2H3,(H,20,24)
InChIKeyWUUCGNPZZFTMOP-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.68
Rot. Bonds8

About N-[3-(diethylamino)propyl]-3-(1H-indol-4-yl)-1,2,4-oxadiazole-5-carboxamide

N-[3-(diethylamino)propyl]-3-(1H-indol-4-yl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 42534995) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-3-(1H-indol-4-yl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-3-(1H-indol-4-yl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID42534995
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-[3-(diethylamino)propyl]-3-(1H-indol-4-yl)-1,2,4-oxadiazole-5-carboxamide
SMILESCCN(CC)CCCNC(=O)c1nc(-c2cccc3[nH]ccc23)no1
InChIInChI=1S/C18H23N5O2/c1-3-23(4-2)12-6-10-20-17(24)18-21-16(22-25-18)14-7-5-8-15-13(14)9-11-19-15/h5,7-9,11,19H,3-4,6,10,12H2,1-2H3,(H,20,24)
InChIKeyWUUCGNPZZFTMOP-UHFFFAOYSA-N
XLogP2.68
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(diethylamino)propyl]-3-(1H-indol-4-yl)-1,2,4-oxadiazole-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-3-(1H-indol-4-yl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-3-(1H-indol-4-yl)-1,2,4-oxadiazole-5-carboxamide (CID 42534995) is N-[3-(diethylamino)propyl]-3-(1H-indol-4-yl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-3-(1H-indol-4-yl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-3-(1H-indol-4-yl)-1,2,4-oxadiazole-5-carboxamide is CCN(CC)CCCNC(=O)c1nc(-c2cccc3[nH]ccc23)no1.
What is the InChIKey of N-[3-(diethylamino)propyl]-3-(1H-indol-4-yl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is WUUCGNPZZFTMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-3-23(4-2)12-6-10-20-17(24)18-21-16(22-25-18)14-7-5-8-15-13(14)9-11-19-15/h5,7-9,11,19H,3-4,6,10,12H2,1-2H3,(H,20,24).
What are the key properties of N-[3-(diethylamino)propyl]-3-(1H-indol-4-yl)-1,2,4-oxadiazole-5-carboxamide?
N-[3-(diethylamino)propyl]-3-(1H-indol-4-yl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-3-(1H-indol-4-yl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 42534995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).