3-[3-[[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N,N-diethylpropanamide

C19H26BrN5O4 — CID 20918527

IUPAC3-[3-[[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCc1nc(CN2CCN(C(=O)c3ccc(Br)o3)CC2)no1
InChIInChI=1S/C19H26BrN5O4/c1-3-24(4-2)18(26)8-7-17-21-16(22-29-17)13-23-9-11-25(12-10-23)19(27)14-5-6-15(20)28-14/h5-6H,3-4,7-13H2,1-2H3
InChIKeyXBMIIWGVYFWHCJ-UHFFFAOYSA-N
MW468.35 g/mol
LogP2.18
Rot. Bonds8

About 3-[3-[[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N,N-diethylpropanamide

3-[3-[[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N,N-diethylpropanamide (PubChem CID 20918527) has the molecular formula C19H26BrN5O4 and a molecular weight of 468.35 g/mol. Its IUPAC name is 3-[3-[[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[3-[[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N,N-diethylpropanamide
PubChem CID20918527
Molecular FormulaC19H26BrN5O4
Molecular Weight468.35 g/mol
Exact Mass467.12
IUPAC Name3-[3-[[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCc1nc(CN2CCN(C(=O)c3ccc(Br)o3)CC2)no1
InChIInChI=1S/C19H26BrN5O4/c1-3-24(4-2)18(26)8-7-17-21-16(22-29-17)13-23-9-11-25(12-10-23)19(27)14-5-6-15(20)28-14/h5-6H,3-4,7-13H2,1-2H3
InChIKeyXBMIIWGVYFWHCJ-UHFFFAOYSA-N
XLogP2.18
TPSA95.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.35
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
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
N-benzyl-3-[3-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropanamide
CID 46278404
N,N-diethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 51076743
N-ethyl-3-[3-[(4-pentanoylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 20918557
N-benzyl-3-[3-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 20918449
3-[3-[[4-(4-bromobenzoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 20918501
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-(3-methylbutanoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 20918444

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N,N-diethylpropanamide?
The IUPAC name of 3-[3-[[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N,N-diethylpropanamide (CID 20918527) is 3-[3-[[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[3-[[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N,N-diethylpropanamide?
The canonical SMILES for 3-[3-[[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N,N-diethylpropanamide is CCN(CC)C(=O)CCc1nc(CN2CCN(C(=O)c3ccc(Br)o3)CC2)no1.
What is the InChIKey of 3-[3-[[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N,N-diethylpropanamide?
The InChIKey is XBMIIWGVYFWHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26BrN5O4/c1-3-24(4-2)18(26)8-7-17-21-16(22-29-17)13-23-9-11-25(12-10-23)19(27)14-5-6-15(20)28-14/h5-6H,3-4,7-13H2,1-2H3.
What are the key properties of 3-[3-[[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N,N-diethylpropanamide?
3-[3-[[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N,N-diethylpropanamide has a molecular weight of 468.35 g/mol, XLogP of 2.18, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N,N-diethylpropanamide is sourced from PubChem (CID 20918527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).