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

C26H31N5O4 — CID 20918449

IUPACN-benzyl-3-[3-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
SMILESCOc1ccccc1C(=O)N1CCN(Cc2noc(CCC(=O)N(C)Cc3ccccc3)n2)CC1
InChIInChI=1S/C26H31N5O4/c1-29(18-20-8-4-3-5-9-20)25(32)13-12-24-27-23(28-35-24)19-30-14-16-31(17-15-30)26(33)21-10-6-7-11-22(21)34-2/h3-11H,12-19H2,1-2H3
InChIKeyAPPXCJWYXJCEIK-UHFFFAOYSA-N
MW477.57 g/mol
LogP2.63
Rot. Bonds9

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

N-benzyl-3-[3-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropanamide (PubChem CID 20918449) has the molecular formula C26H31N5O4 and a molecular weight of 477.57 g/mol. Its IUPAC name is N-benzyl-3-[3-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-[3-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
PubChem CID20918449
Molecular FormulaC26H31N5O4
Molecular Weight477.57 g/mol
Exact Mass477.24
IUPAC NameN-benzyl-3-[3-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
SMILESCOc1ccccc1C(=O)N1CCN(Cc2noc(CCC(=O)N(C)Cc3ccccc3)n2)CC1
InChIInChI=1S/C26H31N5O4/c1-29(18-20-8-4-3-5-9-20)25(32)13-12-24-27-23(28-35-24)19-30-14-16-31(17-15-30)26(33)21-10-6-7-11-22(21)34-2/h3-11H,12-19H2,1-2H3
InChIKeyAPPXCJWYXJCEIK-UHFFFAOYSA-N
XLogP2.63
TPSA92.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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-N-methyl-3-[3-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 20918444
N-benzyl-3-[3-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 20918448
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-N-ethyl-3-[3-[(4-pentanoylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 20918424
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
(2-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone
CID 6422948
(2-methoxyphenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 34555816
3-[3-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 46278459
N-ethyl-3-[3-[(4-pentanoylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 20918557
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-benzyl-3-[3-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropanamide?
The IUPAC name of N-benzyl-3-[3-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropanamide (CID 20918449) is N-benzyl-3-[3-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropanamide.
What is the SMILES notation for N-benzyl-3-[3-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropanamide?
The canonical SMILES for N-benzyl-3-[3-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropanamide is COc1ccccc1C(=O)N1CCN(Cc2noc(CCC(=O)N(C)Cc3ccccc3)n2)CC1.
What is the InChIKey of N-benzyl-3-[3-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropanamide?
The InChIKey is APPXCJWYXJCEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O4/c1-29(18-20-8-4-3-5-9-20)25(32)13-12-24-27-23(28-35-24)19-30-14-16-31(17-15-30)26(33)21-10-6-7-11-22(21)34-2/h3-11H,12-19H2,1-2H3.
What are the key properties of N-benzyl-3-[3-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropanamide?
N-benzyl-3-[3-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropanamide has a molecular weight of 477.57 g/mol, XLogP of 2.63, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[3-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropanamide is sourced from PubChem (CID 20918449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).