N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide

C17H25N5O3 — CID 95278550

IUPACN-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide
SMILESCc1noc([C@H](C)N2CCN(CC(=O)N[C@@H](C)c3ccco3)CC2)n1
InChIInChI=1S/C17H25N5O3/c1-12(15-5-4-10-24-15)18-16(23)11-21-6-8-22(9-7-21)13(2)17-19-14(3)20-25-17/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,18,23)/t12-,13-/m0/s1
InChIKeyCPKRFFYLCSOWBE-STQMWFEESA-N
MW347.42 g/mol
LogP1.53
Rot. Bonds6

About N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide

N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide (PubChem CID 95278550) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide
PubChem CID95278550
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC NameN-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide
SMILESCc1noc([C@H](C)N2CCN(CC(=O)N[C@@H](C)c3ccco3)CC2)n1
InChIInChI=1S/C17H25N5O3/c1-12(15-5-4-10-24-15)18-16(23)11-21-6-8-22(9-7-21)13(2)17-19-14(3)20-25-17/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,18,23)/t12-,13-/m0/s1
InChIKeyCPKRFFYLCSOWBE-STQMWFEESA-N
XLogP1.53
TPSA87.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 42948005
N-[2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]furan-2-carboxamide
CID 42955008
N-[1-(furan-2-yl)ethyl]-2-piperazin-1-ylacetamide
CID 43162415
2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 95279659
N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8596472
N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8597892
2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 95158999
2-(4-aminopiperidin-1-yl)-N-[1-(furan-2-yl)ethyl]acetamide
CID 43556867
N-[1-(furan-2-yl)ethyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
CID 43063731
3-methyl-5-[1-[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 154747097
2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 30649212
2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-[1-(furan-2-yl)ethyl]acetamide
CID 42931762

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide (CID 95278550) is N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide is Cc1noc([C@H](C)N2CCN(CC(=O)N[C@@H](C)c3ccco3)CC2)n1.
What is the InChIKey of N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide?
The InChIKey is CPKRFFYLCSOWBE-STQMWFEESA-N. The full InChI is InChI=1S/C17H25N5O3/c1-12(15-5-4-10-24-15)18-16(23)11-21-6-8-22(9-7-21)13(2)17-19-14(3)20-25-17/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,18,23)/t12-,13-/m0/s1.
What are the key properties of N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide?
N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide has a molecular weight of 347.42 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(furan-2-yl)ethyl]-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 95278550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).