N-butan-2-yl-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide

C17H25N5O2S — CID 134045410

IUPACN-butan-2-yl-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(Cc2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C17H25N5O2S/c1-3-13(2)18-15(23)11-21-6-8-22(9-7-21)12-16-19-17(20-24-16)14-5-4-10-25-14/h4-5,10,13H,3,6-9,11-12H2,1-2H3,(H,18,23)
InChIKeyNCZPJTXPWGJWMA-UHFFFAOYSA-N
MW363.49 g/mol
LogP1.83
Rot. Bonds7

About N-butan-2-yl-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide

N-butan-2-yl-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 134045410) has the molecular formula C17H25N5O2S and a molecular weight of 363.49 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
PubChem CID134045410
Molecular FormulaC17H25N5O2S
Molecular Weight363.49 g/mol
Exact Mass363.17
IUPAC NameN-butan-2-yl-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(Cc2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C17H25N5O2S/c1-3-13(2)18-15(23)11-21-6-8-22(9-7-21)12-16-19-17(20-24-16)14-5-4-10-25-14/h4-5,10,13H,3,6-9,11-12H2,1-2H3,(H,18,23)
InChIKeyNCZPJTXPWGJWMA-UHFFFAOYSA-N
XLogP1.83
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-propan-2-yl-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 43928606
(2R)-2-amino-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119839831
3-propan-2-yl-5-[[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 43048660
2-phenyl-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-1-one
CID 46533225
N-propan-2-yl-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43934901
N-pentan-2-yl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18089543
2-(4-methylphenoxy)-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-1-one
CID 24609977
2-naphthalen-1-yl-N-[2-oxo-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethyl]acetamide
CID 16606338
(2,3-dimethylphenyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 32900756
2-(4-methoxyphenoxy)-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-1-one
CID 55518538
3-nitro-N-[1-oxo-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-2-yl]benzamide
CID 55500871
N-[1-(4-ethoxyphenyl)ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 43928907

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide (CID 134045410) is N-butan-2-yl-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide is CCC(C)NC(=O)CN1CCN(Cc2nc(-c3cccs3)no2)CC1.
What is the InChIKey of N-butan-2-yl-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is NCZPJTXPWGJWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2S/c1-3-13(2)18-15(23)11-21-6-8-22(9-7-21)12-16-19-17(20-24-16)14-5-4-10-25-14/h4-5,10,13H,3,6-9,11-12H2,1-2H3,(H,18,23).
What are the key properties of N-butan-2-yl-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide?
N-butan-2-yl-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 363.49 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 134045410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).