methyl 2-[5-[[3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-1,3,4-oxadiazol-2-yl]acetate

C11H12F2N4O3 — CID 19552372

IUPACmethyl 2-[5-[[3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-1,3,4-oxadiazol-2-yl]acetate
SMILESCOC(=O)Cc1nnc(Cn2nc(C(F)F)cc2C)o1
InChIInChI=1S/C11H12F2N4O3/c1-6-3-7(11(12)13)16-17(6)5-9-15-14-8(20-9)4-10(18)19-2/h3,11H,4-5H2,1-2H3
InChIKeyVZNZNLPTLVYRJO-UHFFFAOYSA-N
MW286.24 g/mol
LogP1.28
Rot. Bonds5

About methyl 2-[5-[[3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-1,3,4-oxadiazol-2-yl]acetate

methyl 2-[5-[[3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-1,3,4-oxadiazol-2-yl]acetate (PubChem CID 19552372) has the molecular formula C11H12F2N4O3 and a molecular weight of 286.24 g/mol. Its IUPAC name is methyl 2-[5-[[3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-1,3,4-oxadiazol-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[[3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-1,3,4-oxadiazol-2-yl]acetate
PubChem CID19552372
Molecular FormulaC11H12F2N4O3
Molecular Weight286.24 g/mol
Exact Mass286.09
IUPAC Namemethyl 2-[5-[[3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-1,3,4-oxadiazol-2-yl]acetate
SMILESCOC(=O)Cc1nnc(Cn2nc(C(F)F)cc2C)o1
InChIInChI=1S/C11H12F2N4O3/c1-6-3-7(11(12)13)16-17(6)5-9-15-14-8(20-9)4-10(18)19-2/h3,11H,4-5H2,1-2H3
InChIKeyVZNZNLPTLVYRJO-UHFFFAOYSA-N
XLogP1.28
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[5-[[3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-1,3,4-oxadiazol-2-yl]acetate with MolForge

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Related Compounds

methyl 2-[5-[1-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-oxadiazol-2-yl]acetate
CID 19552501
methyl 2-[3-(aminomethyl)-6-(difluoromethyl)-4-methyl-2-pyridinyl]acetate
CID 133084326
N-(1-benzyl-5-methylpyrazol-3-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
CID 19337554
methyl 2-[5-[2-(4-chloro-3-methylpyrazol-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]acetate
CID 19552482
methyl 2-[6-(difluoromethyl)-2-fluoro-4-iodo-3-pyridinyl]acetate
CID 133105815
methyl 2-[4-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetate
CID 134684404
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-hexylacetamide
CID 19523586
methyl 2-[5-(1-ethyl-5-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]acetate
CID 19542381
methyl 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxylate
CID 19342183
methyl 2-[3-(aminomethyl)-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
CID 133104847
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 1225415
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide
CID 19519400

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[[3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-1,3,4-oxadiazol-2-yl]acetate?
The IUPAC name of methyl 2-[5-[[3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-1,3,4-oxadiazol-2-yl]acetate (CID 19552372) is methyl 2-[5-[[3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-1,3,4-oxadiazol-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-[[3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-1,3,4-oxadiazol-2-yl]acetate?
The canonical SMILES for methyl 2-[5-[[3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-1,3,4-oxadiazol-2-yl]acetate is COC(=O)Cc1nnc(Cn2nc(C(F)F)cc2C)o1.
What is the InChIKey of methyl 2-[5-[[3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-1,3,4-oxadiazol-2-yl]acetate?
The InChIKey is VZNZNLPTLVYRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4O3/c1-6-3-7(11(12)13)16-17(6)5-9-15-14-8(20-9)4-10(18)19-2/h3,11H,4-5H2,1-2H3.
What are the key properties of methyl 2-[5-[[3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-1,3,4-oxadiazol-2-yl]acetate?
methyl 2-[5-[[3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-1,3,4-oxadiazol-2-yl]acetate has a molecular weight of 286.24 g/mol, XLogP of 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[[3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-1,3,4-oxadiazol-2-yl]acetate is sourced from PubChem (CID 19552372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).