2-[4-(difluoromethoxy)phenyl]-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-oxadiazole

C16H13F5N4O2 — CID 19550766

IUPAC2-[4-(difluoromethoxy)phenyl]-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-oxadiazole
SMILESCc1cc(C(F)(F)F)nn1CCc1nnc(-c2ccc(OC(F)F)cc2)o1
InChIInChI=1S/C16H13F5N4O2/c1-9-8-12(16(19,20)21)24-25(9)7-6-13-22-23-14(27-13)10-2-4-11(5-3-10)26-15(17)18/h2-5,8,15H,6-7H2,1H3
InChIKeyWBLGNMVDISHVOX-UHFFFAOYSA-N
MW388.30 g/mol
LogP4.10
Rot. Bonds6

About 2-[4-(difluoromethoxy)phenyl]-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-oxadiazole

2-[4-(difluoromethoxy)phenyl]-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-oxadiazole (PubChem CID 19550766) has the molecular formula C16H13F5N4O2 and a molecular weight of 388.30 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-oxadiazole
PubChem CID19550766
Molecular FormulaC16H13F5N4O2
Molecular Weight388.30 g/mol
Exact Mass388.10
IUPAC Name2-[4-(difluoromethoxy)phenyl]-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-oxadiazole
SMILESCc1cc(C(F)(F)F)nn1CCc1nnc(-c2ccc(OC(F)F)cc2)o1
InChIInChI=1S/C16H13F5N4O2/c1-9-8-12(16(19,20)21)24-25(9)7-6-13-22-23-14(27-13)10-2-4-11(5-3-10)26-15(17)18/h2-5,8,15H,6-7H2,1H3
InChIKeyWBLGNMVDISHVOX-UHFFFAOYSA-N
XLogP4.10
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.30
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazole
CID 19552437
2-methyl-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-oxadiazole
CID 19550755
2-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 19540576
2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[1-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]-1,3,4-oxadiazole
CID 19552764
2-[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl formate
CID 174643945
2-[4-(difluoromethoxy)phenyl]-5-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1,3,4-oxadiazole
CID 19581957
2-[4-(difluoromethoxy)phenyl]-5-(1-ethyl-5-methylpyrazol-4-yl)-1,3,4-oxadiazole
CID 19542389
2-[4-(difluoromethoxy)phenyl]-5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1,3,4-oxadiazole
CID 19542351
2-[5-[3-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62164986
2-[4-(difluoromethoxy)phenyl]-5-[(3-nitropyrazol-1-yl)methyl]-1,3,4-oxadiazole
CID 19550639
2-[4-(difluoromethoxy)phenyl]-5-[4-[(4-methoxyphenoxy)methyl]phenyl]-1,3,4-oxadiazole
CID 19550341
2-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 19552544

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-oxadiazole (CID 19550766) is 2-[4-(difluoromethoxy)phenyl]-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-oxadiazole is Cc1cc(C(F)(F)F)nn1CCc1nnc(-c2ccc(OC(F)F)cc2)o1.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-oxadiazole?
The InChIKey is WBLGNMVDISHVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F5N4O2/c1-9-8-12(16(19,20)21)24-25(9)7-6-13-22-23-14(27-13)10-2-4-11(5-3-10)26-15(17)18/h2-5,8,15H,6-7H2,1H3.
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-oxadiazole?
2-[4-(difluoromethoxy)phenyl]-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-oxadiazole has a molecular weight of 388.30 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 19550766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).