N-benzyl-N-methyl-3-[3-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide

C23H33N5O3 — CID 20918444

IUPACN-benzyl-N-methyl-3-[3-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide
SMILESCC(C)CC(=O)N1CCN(Cc2noc(CCC(=O)N(C)Cc3ccccc3)n2)CC1
InChIInChI=1S/C23H33N5O3/c1-18(2)15-23(30)28-13-11-27(12-14-28)17-20-24-21(31-25-20)9-10-22(29)26(3)16-19-7-5-4-6-8-19/h4-8,18H,9-17H2,1-3H3
InChIKeyQCMPEOREQHMFNY-UHFFFAOYSA-N
MW427.55 g/mol
LogP2.35
Rot. Bonds9

About N-benzyl-N-methyl-3-[3-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide

N-benzyl-N-methyl-3-[3-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 20918444) has the molecular formula C23H33N5O3 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-[3-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-[3-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID20918444
Molecular FormulaC23H33N5O3
Molecular Weight427.55 g/mol
Exact Mass427.26
IUPAC NameN-benzyl-N-methyl-3-[3-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide
SMILESCC(C)CC(=O)N1CCN(Cc2noc(CCC(=O)N(C)Cc3ccccc3)n2)CC1
InChIInChI=1S/C23H33N5O3/c1-18(2)15-23(30)28-13-11-27(12-14-28)17-20-24-21(31-25-20)9-10-22(29)26(3)16-19-7-5-4-6-8-19/h4-8,18H,9-17H2,1-3H3
InChIKeyQCMPEOREQHMFNY-UHFFFAOYSA-N
XLogP2.35
TPSA82.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-N-methyl-3-[3-[[4-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
CID 146052997
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
N-benzyl-3-[3-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 20918449
N,N-diethyl-3-[3-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 20918519
N-benzyl-3-[3-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 20918448
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-pentanoylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 20918557
N-benzyl-N-ethyl-3-[3-[[4-(4-nitrobenzoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 24793624
N-benzyl-N-ethyl-3-[3-[[4-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
CID 146052986
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-3-[3-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropanamide
CID 46278404
3-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]butan-1-one
CID 119882479

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-[3-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-benzyl-N-methyl-3-[3-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide (CID 20918444) is N-benzyl-N-methyl-3-[3-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-benzyl-N-methyl-3-[3-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-benzyl-N-methyl-3-[3-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide is CC(C)CC(=O)N1CCN(Cc2noc(CCC(=O)N(C)Cc3ccccc3)n2)CC1.
What is the InChIKey of N-benzyl-N-methyl-3-[3-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is QCMPEOREQHMFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O3/c1-18(2)15-23(30)28-13-11-27(12-14-28)17-20-24-21(31-25-20)9-10-22(29)26(3)16-19-7-5-4-6-8-19/h4-8,18H,9-17H2,1-3H3.
What are the key properties of N-benzyl-N-methyl-3-[3-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide?
N-benzyl-N-methyl-3-[3-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 427.55 g/mol, XLogP of 2.35, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-3-[3-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 20918444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).