2-[1-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol

C13H11F3N4O3 — CID 110006370

IUPAC2-[1-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol
SMILESOCCc1cn(Cc2nc(-c3ccoc3)no2)nc1C(F)(F)F
InChIInChI=1S/C13H11F3N4O3/c14-13(15,16)11-8(1-3-21)5-20(18-11)6-10-17-12(19-23-10)9-2-4-22-7-9/h2,4-5,7,21H,1,3,6H2
InChIKeyJRNKMZWFXBABEA-UHFFFAOYSA-N
MW328.25 g/mol
LogP2.13
Rot. Bonds5

About 2-[1-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol

2-[1-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol (PubChem CID 110006370) has the molecular formula C13H11F3N4O3 and a molecular weight of 328.25 g/mol. Its IUPAC name is 2-[1-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol
PubChem CID110006370
Molecular FormulaC13H11F3N4O3
Molecular Weight328.25 g/mol
Exact Mass328.08
IUPAC Name2-[1-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol
SMILESOCCc1cn(Cc2nc(-c3ccoc3)no2)nc1C(F)(F)F
InChIInChI=1S/C13H11F3N4O3/c14-13(15,16)11-8(1-3-21)5-20(18-11)6-10-17-12(19-23-10)9-2-4-22-7-9/h2,4-5,7,21H,1,3,6H2
InChIKeyJRNKMZWFXBABEA-UHFFFAOYSA-N
XLogP2.13
TPSA90.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[1-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol 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-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 99819881
5-[(4-bromo-3-nitropyrazol-1-yl)methyl]-3-(furan-3-yl)-1,2,4-oxadiazole
CID 56801917
2-[1-[(2-chloro-4-pyridinyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 110006327
1-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 64672459
2-[1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 110006274
2-[1-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 110006291
2-[1-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 86815616
3-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl-(2-hydroxyethyl)amino]propan-1-ol
CID 111113510
5-[2-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 136516263
3-(furan-3-yl)-5-[(5-methyltetrazol-1-yl)methyl]-1,2,4-oxadiazole
CID 75426291
3-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 56801915
2-[1-(2-ethylsulfanylethyl)-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 86814697

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
The IUPAC name of 2-[1-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol (CID 110006370) is 2-[1-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol is OCCc1cn(Cc2nc(-c3ccoc3)no2)nc1C(F)(F)F.
What is the InChIKey of 2-[1-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
The InChIKey is JRNKMZWFXBABEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4O3/c14-13(15,16)11-8(1-3-21)5-20(18-11)6-10-17-12(19-23-10)9-2-4-22-7-9/h2,4-5,7,21H,1,3,6H2.
What are the key properties of 2-[1-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
2-[1-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol has a molecular weight of 328.25 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol is sourced from PubChem (CID 110006370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).