4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-piperazin-1-ylethyl)benzamide

C18H25N5O3 — CID 119446462

IUPAC4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-piperazin-1-ylethyl)benzamide
SMILESCCc1nc(COc2ccc(C(=O)NCCN3CCNCC3)cc2)no1
InChIInChI=1S/C18H25N5O3/c1-2-17-21-16(22-26-17)13-25-15-5-3-14(4-6-15)18(24)20-9-12-23-10-7-19-8-11-23/h3-6,19H,2,7-13H2,1H3,(H,20,24)
InChIKeyHSVHGVGNDFESNU-UHFFFAOYSA-N
MW359.43 g/mol
LogP0.85
Rot. Bonds8

About 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-piperazin-1-ylethyl)benzamide

4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-piperazin-1-ylethyl)benzamide (PubChem CID 119446462) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-piperazin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-piperazin-1-ylethyl)benzamide
PubChem CID119446462
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-piperazin-1-ylethyl)benzamide
SMILESCCc1nc(COc2ccc(C(=O)NCCN3CCNCC3)cc2)no1
InChIInChI=1S/C18H25N5O3/c1-2-17-21-16(22-26-17)13-25-15-5-3-14(4-6-15)18(24)20-9-12-23-10-7-19-8-11-23/h3-6,19H,2,7-13H2,1H3,(H,20,24)
InChIKeyHSVHGVGNDFESNU-UHFFFAOYSA-N
XLogP0.85
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-aminoethyl)-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide;hydrochloride
CID 119383309
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556658
5-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]pentanoic acid
CID 119234883
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-methyl-N-piperidin-4-ylbenzamide
CID 119442398
4-[2-(diethylamino)ethoxy]-N-(2-piperazin-1-ylethyl)benzamide
CID 119448581
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120599625
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-piperidin-4-yl-N-propylbenzamide
CID 119824236
methyl 4-[[5-(2-piperidin-1-ylethylcarbamoyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate
CID 29132043
2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-2-methylpropanoic acid
CID 119187712
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[2-(6-methyl-1H-indol-3-yl)ethyl]benzamide
CID 86957414
(2R)-2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-4-methylpentanoic acid
CID 119364476
5-ethyl-3-[[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy]methyl]-1,2,4-oxadiazole
CID 120956190

Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-piperazin-1-ylethyl)benzamide?
The IUPAC name of 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-piperazin-1-ylethyl)benzamide (CID 119446462) is 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-piperazin-1-ylethyl)benzamide.
What is the SMILES notation for 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-piperazin-1-ylethyl)benzamide?
The canonical SMILES for 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-piperazin-1-ylethyl)benzamide is CCc1nc(COc2ccc(C(=O)NCCN3CCNCC3)cc2)no1.
What is the InChIKey of 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-piperazin-1-ylethyl)benzamide?
The InChIKey is HSVHGVGNDFESNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-2-17-21-16(22-26-17)13-25-15-5-3-14(4-6-15)18(24)20-9-12-23-10-7-19-8-11-23/h3-6,19H,2,7-13H2,1H3,(H,20,24).
What are the key properties of 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-piperazin-1-ylethyl)benzamide?
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-piperazin-1-ylethyl)benzamide has a molecular weight of 359.43 g/mol, XLogP of 0.85, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-piperazin-1-ylethyl)benzamide is sourced from PubChem (CID 119446462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).