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

C23H33N5O3 — CID 20918557

IUPACN-ethyl-3-[3-[(4-pentanoylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
SMILESCCCCC(=O)N1CCN(Cc2noc(CCC(=O)N(CC)c3ccccc3)n2)CC1
InChIInChI=1S/C23H33N5O3/c1-3-5-11-22(29)27-16-14-26(15-17-27)18-20-24-21(31-25-20)12-13-23(30)28(4-2)19-9-7-6-8-10-19/h6-10H,3-5,11-18H2,1-2H3
InChIKeyUARQRYUMELRPNN-UHFFFAOYSA-N
MW427.55 g/mol
LogP2.89
Rot. Bonds10

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

N-ethyl-3-[3-[(4-pentanoylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide (PubChem CID 20918557) has the molecular formula C23H33N5O3 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-ethyl-3-[3-[(4-pentanoylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-ethyl-3-[3-[(4-pentanoylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
PubChem CID20918557
Molecular FormulaC23H33N5O3
Molecular Weight427.55 g/mol
Exact Mass427.26
IUPAC NameN-ethyl-3-[3-[(4-pentanoylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
SMILESCCCCC(=O)N1CCN(Cc2noc(CCC(=O)N(CC)c3ccccc3)n2)CC1
InChIInChI=1S/C23H33N5O3/c1-3-5-11-22(29)27-16-14-26(15-17-27)18-20-24-21(31-25-20)12-13-23(30)28(4-2)19-9-7-6-8-10-19/h6-10H,3-5,11-18H2,1-2H3
InChIKeyUARQRYUMELRPNN-UHFFFAOYSA-N
XLogP2.89
TPSA82.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-N-ethyl-3-[3-[(4-pentanoylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 20918424
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
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
3-[3-[(4-butanoylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-cyclohexyl-N-methylpropanamide
CID 46278442
N,N-diethyl-3-[3-(piperazin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]propanamide;dihydrochloride
CID 155823355
4-(3-propyl-1,2,4-oxadiazol-5-yl)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one
CID 55826511
N,N-dimethyl-2-[4-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoyl]-1,4-diazepan-1-yl]acetamide
CID 55642320
1-[4-[[5-[3-(azepan-1-yl)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-4-(1,3-benzothiazol-2-yl)butan-1-one
CID 20918556
3-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119882488
1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-4-(methylamino)butan-1-one
CID 119882437
3-[3-[[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N,N-diethylpropanamide
CID 20918527

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[3-[(4-pentanoylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide?
The IUPAC name of N-ethyl-3-[3-[(4-pentanoylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide (CID 20918557) is N-ethyl-3-[3-[(4-pentanoylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide.
What is the SMILES notation for N-ethyl-3-[3-[(4-pentanoylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide?
The canonical SMILES for N-ethyl-3-[3-[(4-pentanoylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide is CCCCC(=O)N1CCN(Cc2noc(CCC(=O)N(CC)c3ccccc3)n2)CC1.
What is the InChIKey of N-ethyl-3-[3-[(4-pentanoylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide?
The InChIKey is UARQRYUMELRPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O3/c1-3-5-11-22(29)27-16-14-26(15-17-27)18-20-24-21(31-25-20)12-13-23(30)28(4-2)19-9-7-6-8-10-19/h6-10H,3-5,11-18H2,1-2H3.
What are the key properties of N-ethyl-3-[3-[(4-pentanoylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide?
N-ethyl-3-[3-[(4-pentanoylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide has a molecular weight of 427.55 g/mol, XLogP of 2.89, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[3-[(4-pentanoylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide is sourced from PubChem (CID 20918557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).