3-[1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]ethyl]-5-methyl-1,2,4-oxadiazole

C14H20F2N6O — CID 126803300

IUPAC3-[1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]ethyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(C(C)N2CCN(Cc3nccn3C(F)F)CC2)no1
InChIInChI=1S/C14H20F2N6O/c1-10(13-18-11(2)23-19-13)21-7-5-20(6-8-21)9-12-17-3-4-22(12)14(15)16/h3-4,10,14H,5-9H2,1-2H3
InChIKeyWRULOEXUKNFOJC-UHFFFAOYSA-N
MW326.35 g/mol
LogP1.85
Rot. Bonds5

About 3-[1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]ethyl]-5-methyl-1,2,4-oxadiazole

3-[1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]ethyl]-5-methyl-1,2,4-oxadiazole (PubChem CID 126803300) has the molecular formula C14H20F2N6O and a molecular weight of 326.35 g/mol. Its IUPAC name is 3-[1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]ethyl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]ethyl]-5-methyl-1,2,4-oxadiazole
PubChem CID126803300
Molecular FormulaC14H20F2N6O
Molecular Weight326.35 g/mol
Exact Mass326.17
IUPAC Name3-[1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]ethyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(C(C)N2CCN(Cc3nccn3C(F)F)CC2)no1
InChIInChI=1S/C14H20F2N6O/c1-10(13-18-11(2)23-19-13)21-7-5-20(6-8-21)9-12-17-3-4-22(12)14(15)16/h3-4,10,14H,5-9H2,1-2H3
InChIKeyWRULOEXUKNFOJC-UHFFFAOYSA-N
XLogP1.85
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]ethyl]-5-methyl-1,2,4-oxadiazole with MolForge

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Related Compounds

3-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]propan-1-ol
CID 111544146
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-(naphthalen-1-ylmethyl)piperazine
CID 71900678
1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]butan-1-one
CID 166191537
1-(5-chloro-2-methylphenyl)-4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazine
CID 78828337
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,4-diazepane
CID 43144074
1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704064
1-(1,3-benzodioxol-5-ylmethyl)-4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazine
CID 17468387
2-amino-1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride
CID 119867986
N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 63848611
1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]-N-methylmethanamine;dihydrochloride
CID 119922574
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-propylpiperidine-4-carboxylic acid
CID 63126953
(1R)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 95902876

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]ethyl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]ethyl]-5-methyl-1,2,4-oxadiazole (CID 126803300) is 3-[1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]ethyl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]ethyl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]ethyl]-5-methyl-1,2,4-oxadiazole is Cc1nc(C(C)N2CCN(Cc3nccn3C(F)F)CC2)no1.
What is the InChIKey of 3-[1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]ethyl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is WRULOEXUKNFOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N6O/c1-10(13-18-11(2)23-19-13)21-7-5-20(6-8-21)9-12-17-3-4-22(12)14(15)16/h3-4,10,14H,5-9H2,1-2H3.
What are the key properties of 3-[1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]ethyl]-5-methyl-1,2,4-oxadiazole?
3-[1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]ethyl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 326.35 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]ethyl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 126803300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).