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

C25H28FN5O3 — CID 20918448

IUPACN-benzyl-3-[3-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CCc1nc(CN2CCN(C(=O)c3cccc(F)c3)CC2)no1
InChIInChI=1S/C25H28FN5O3/c1-29(17-19-6-3-2-4-7-19)24(32)11-10-23-27-22(28-34-23)18-30-12-14-31(15-13-30)25(33)20-8-5-9-21(26)16-20/h2-9,16H,10-15,17-18H2,1H3
InChIKeyDUTRGTNAVUJRSF-UHFFFAOYSA-N
MW465.53 g/mol
LogP2.76
Rot. Bonds8

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

N-benzyl-3-[3-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropanamide (PubChem CID 20918448) has the molecular formula C25H28FN5O3 and a molecular weight of 465.53 g/mol. Its IUPAC name is N-benzyl-3-[3-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-[3-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
PubChem CID20918448
Molecular FormulaC25H28FN5O3
Molecular Weight465.53 g/mol
Exact Mass465.22
IUPAC NameN-benzyl-3-[3-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CCc1nc(CN2CCN(C(=O)c3cccc(F)c3)CC2)no1
InChIInChI=1S/C25H28FN5O3/c1-29(17-19-6-3-2-4-7-19)24(32)11-10-23-27-22(28-34-23)18-30-12-14-31(15-13-30)25(33)20-8-5-9-21(26)16-20/h2-9,16H,10-15,17-18H2,1H3
InChIKeyDUTRGTNAVUJRSF-UHFFFAOYSA-N
XLogP2.76
TPSA82.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 20918449
N-benzyl-N-methyl-3-[3-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 20918444
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
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N-benzyl-N-ethyl-3-[3-[[4-(4-nitrobenzoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 24793624
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CID 42879634
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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
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 86982425
N-[(3-fluorophenyl)methyl]-3-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 137026778
N-benzyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 110330721
1-(azepan-1-yl)-3-[3-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride
CID 146053061

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[3-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropanamide?
The IUPAC name of N-benzyl-3-[3-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropanamide (CID 20918448) is N-benzyl-3-[3-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropanamide.
What is the SMILES notation for N-benzyl-3-[3-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropanamide?
The canonical SMILES for N-benzyl-3-[3-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropanamide is CN(Cc1ccccc1)C(=O)CCc1nc(CN2CCN(C(=O)c3cccc(F)c3)CC2)no1.
What is the InChIKey of N-benzyl-3-[3-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropanamide?
The InChIKey is DUTRGTNAVUJRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O3/c1-29(17-19-6-3-2-4-7-19)24(32)11-10-23-27-22(28-34-23)18-30-12-14-31(15-13-30)25(33)20-8-5-9-21(26)16-20/h2-9,16H,10-15,17-18H2,1H3.
What are the key properties of N-benzyl-3-[3-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropanamide?
N-benzyl-3-[3-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropanamide has a molecular weight of 465.53 g/mol, XLogP of 2.76, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[3-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropanamide is sourced from PubChem (CID 20918448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).