furan-3-yl-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone

C13H16N4O3 — CID 34955899

IUPACfuran-3-yl-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
SMILESCc1noc(CN2CCN(C(=O)c3ccoc3)CC2)n1
InChIInChI=1S/C13H16N4O3/c1-10-14-12(20-15-10)8-16-3-5-17(6-4-16)13(18)11-2-7-19-9-11/h2,7,9H,3-6,8H2,1H3
InChIKeyHNIHBBZCLURSEQ-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.93
Rot. Bonds3

About furan-3-yl-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone

furan-3-yl-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone (PubChem CID 34955899) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is furan-3-yl-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
PubChem CID34955899
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Namefuran-3-yl-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
SMILESCc1noc(CN2CCN(C(=O)c3ccoc3)CC2)n1
InChIInChI=1S/C13H16N4O3/c1-10-14-12(20-15-10)8-16-3-5-17(6-4-16)13(18)11-2-7-19-9-11/h2,7,9H,3-6,8H2,1H3
InChIKeyHNIHBBZCLURSEQ-UHFFFAOYSA-N
XLogP0.93
TPSA75.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze furan-3-yl-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 134007172
[4-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 78857530
1,3-benzothiazol-6-yl-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 134699967
(3-methoxy-4-phenylmethoxyphenyl)-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 86878712
furan-3-yl-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone
CID 32532619
[4-[(5-bromofuran-2-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 99791992
N-[5-fluoro-2-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]phenyl]furan-3-carboxamide
CID 86803317
furan-3-yl-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 94207997
[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(1-oxidopyridin-1-ium-4-yl)methanone
CID 134042190
[4-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 75471888
[4-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(furan-3-yl)methanone
CID 171911436
[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 34834678

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of furan-3-yl-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone (CID 34955899) is furan-3-yl-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-3-yl-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-3-yl-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone is Cc1noc(CN2CCN(C(=O)c3ccoc3)CC2)n1.
What is the InChIKey of furan-3-yl-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is HNIHBBZCLURSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-10-14-12(20-15-10)8-16-3-5-17(6-4-16)13(18)11-2-7-19-9-11/h2,7,9H,3-6,8H2,1H3.
What are the key properties of furan-3-yl-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone?
furan-3-yl-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 276.30 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 34955899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).