N-ethyl-3-[3-[[4-[3-(2-methylimidazol-1-yl)propanoyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide

C25H33N7O3 — CID 46278477

IUPACN-ethyl-3-[3-[[4-[3-(2-methylimidazol-1-yl)propanoyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
SMILESCCN(C(=O)CCc1nc(CN2CCN(C(=O)CCn3ccnc3C)CC2)no1)c1ccccc1
InChIInChI=1S/C25H33N7O3/c1-3-32(21-7-5-4-6-8-21)25(34)10-9-23-27-22(28-35-23)19-29-15-17-31(18-16-29)24(33)11-13-30-14-12-26-20(30)2/h4-8,12,14H,3,9-11,13,15-19H2,1-2H3
InChIKeyBUORBEQBUBZOGB-UHFFFAOYSA-N
MW479.59 g/mol
LogP2.29
Rot. Bonds10

About N-ethyl-3-[3-[[4-[3-(2-methylimidazol-1-yl)propanoyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide

N-ethyl-3-[3-[[4-[3-(2-methylimidazol-1-yl)propanoyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide (PubChem CID 46278477) has the molecular formula C25H33N7O3 and a molecular weight of 479.59 g/mol. Its IUPAC name is N-ethyl-3-[3-[[4-[3-(2-methylimidazol-1-yl)propanoyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-ethyl-3-[3-[[4-[3-(2-methylimidazol-1-yl)propanoyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
PubChem CID46278477
Molecular FormulaC25H33N7O3
Molecular Weight479.59 g/mol
Exact Mass479.26
IUPAC NameN-ethyl-3-[3-[[4-[3-(2-methylimidazol-1-yl)propanoyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
SMILESCCN(C(=O)CCc1nc(CN2CCN(C(=O)CCn3ccnc3C)CC2)no1)c1ccccc1
InChIInChI=1S/C25H33N7O3/c1-3-32(21-7-5-4-6-8-21)25(34)10-9-23-27-22(28-35-23)19-29-15-17-31(18-16-29)24(33)11-13-30-14-12-26-20(30)2/h4-8,12,14H,3,9-11,13,15-19H2,1-2H3
InChIKeyBUORBEQBUBZOGB-UHFFFAOYSA-N
XLogP2.29
TPSA100.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.59
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-ethyl-3-[3-[[4-[3-(2-methylimidazol-1-yl)propanoyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide 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-ethyl-3-[3-[(4-pentanoylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 20918557
N-benzyl-N-ethyl-3-[3-[(4-pentanoylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 20918424
N-benzyl-N-methyl-3-[3-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 20918444
N,N-diethyl-3-[3-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 20918519
N,N-diethyl-3-[3-(piperazin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]propanamide;dihydrochloride
CID 155823355
1-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-(2-methylimidazol-1-yl)ethanone
CID 128661517
3-[3-[(4-butanoylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-cyclohexyl-N-methylpropanamide
CID 46278442
N-benzyl-3-[3-[[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropanamide;hydrochloride
CID 146053002
1-(4-benzylpiperazin-1-yl)-3-[1-[3-(2-methylimidazol-1-yl)propanoyl]piperidin-3-yl]propan-1-one
CID 45184157
3-(benzenesulfonyl)-1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one
CID 90533828
3-(2-methylimidazol-1-yl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one
CID 86284577
3-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119882488

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[3-[[4-[3-(2-methylimidazol-1-yl)propanoyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide?
The IUPAC name of N-ethyl-3-[3-[[4-[3-(2-methylimidazol-1-yl)propanoyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide (CID 46278477) is N-ethyl-3-[3-[[4-[3-(2-methylimidazol-1-yl)propanoyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide.
What is the SMILES notation for N-ethyl-3-[3-[[4-[3-(2-methylimidazol-1-yl)propanoyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide?
The canonical SMILES for N-ethyl-3-[3-[[4-[3-(2-methylimidazol-1-yl)propanoyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide is CCN(C(=O)CCc1nc(CN2CCN(C(=O)CCn3ccnc3C)CC2)no1)c1ccccc1.
What is the InChIKey of N-ethyl-3-[3-[[4-[3-(2-methylimidazol-1-yl)propanoyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide?
The InChIKey is BUORBEQBUBZOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N7O3/c1-3-32(21-7-5-4-6-8-21)25(34)10-9-23-27-22(28-35-23)19-29-15-17-31(18-16-29)24(33)11-13-30-14-12-26-20(30)2/h4-8,12,14H,3,9-11,13,15-19H2,1-2H3.
What are the key properties of N-ethyl-3-[3-[[4-[3-(2-methylimidazol-1-yl)propanoyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide?
N-ethyl-3-[3-[[4-[3-(2-methylimidazol-1-yl)propanoyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide has a molecular weight of 479.59 g/mol, XLogP of 2.29, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[3-[[4-[3-(2-methylimidazol-1-yl)propanoyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide is sourced from PubChem (CID 46278477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).