N-(2-anilino-3-methylbutyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide

C20H24N4O3 — CID 55554755

IUPACN-(2-anilino-3-methylbutyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCC(C)C(CNC(=O)CCc1nc(-c2ccco2)no1)Nc1ccccc1
InChIInChI=1S/C20H24N4O3/c1-14(2)16(22-15-7-4-3-5-8-15)13-21-18(25)10-11-19-23-20(24-27-19)17-9-6-12-26-17/h3-9,12,14,16,22H,10-11,13H2,1-2H3,(H,21,25)
InChIKeyJEDUFPVMEDBJRN-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.52
Rot. Bonds9

About N-(2-anilino-3-methylbutyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide

N-(2-anilino-3-methylbutyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 55554755) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-(2-anilino-3-methylbutyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(2-anilino-3-methylbutyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID55554755
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-(2-anilino-3-methylbutyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCC(C)C(CNC(=O)CCc1nc(-c2ccco2)no1)Nc1ccccc1
InChIInChI=1S/C20H24N4O3/c1-14(2)16(22-15-7-4-3-5-8-15)13-21-18(25)10-11-19-23-20(24-27-19)17-9-6-12-26-17/h3-9,12,14,16,22H,10-11,13H2,1-2H3,(H,21,25)
InChIKeyJEDUFPVMEDBJRN-UHFFFAOYSA-N
XLogP3.52
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-anilino-3-methylbutyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-anilino-3-methylbutyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55535788
(2S)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]propanoic acid
CID 119238162
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 36803725
3-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-2,2-dimethylpropanoic acid
CID 119249678
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110888709
2-[[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]methyl]-3-(3-methylphenyl)propanoic acid
CID 119243032
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxypropyl)propanamide
CID 36741660
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylsulfonylphenyl)propanamide
CID 33160233
N-(4-ethylphenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 36705195
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[3-(methylcarbamoylamino)phenyl]propanamide
CID 36862559
N-(1-amino-4-methylpentan-2-yl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
CID 119586530
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55745710

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-3-methylbutyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(2-anilino-3-methylbutyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide (CID 55554755) is N-(2-anilino-3-methylbutyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(2-anilino-3-methylbutyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(2-anilino-3-methylbutyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide is CC(C)C(CNC(=O)CCc1nc(-c2ccco2)no1)Nc1ccccc1.
What is the InChIKey of N-(2-anilino-3-methylbutyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is JEDUFPVMEDBJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-14(2)16(22-15-7-4-3-5-8-15)13-21-18(25)10-11-19-23-20(24-27-19)17-9-6-12-26-17/h3-9,12,14,16,22H,10-11,13H2,1-2H3,(H,21,25).
What are the key properties of N-(2-anilino-3-methylbutyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide?
N-(2-anilino-3-methylbutyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 368.44 g/mol, XLogP of 3.52, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-3-methylbutyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 55554755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).