2-(difluoromethyl)-5-[2-[(1R)-1-(4-fluorophenyl)ethoxy]pyrimidin-5-yl]-1,3,4-oxadiazole

C15H11F3N4O2 — CID 162518629

IUPAC2-(difluoromethyl)-5-[2-[(1R)-1-(4-fluorophenyl)ethoxy]pyrimidin-5-yl]-1,3,4-oxadiazole
SMILESC[C@@H](Oc1ncc(-c2nnc(C(F)F)o2)cn1)c1ccc(F)cc1
InChIInChI=1S/C15H11F3N4O2/c1-8(9-2-4-11(16)5-3-9)23-15-19-6-10(7-20-15)13-21-22-14(24-13)12(17)18/h2-8,12H,1H3/t8-/m1/s1
InChIKeyMGOXBYVHURPFFM-MRVPVSSYSA-N
MW336.27 g/mol
LogP3.74
Rot. Bonds5

About 2-(difluoromethyl)-5-[2-[(1R)-1-(4-fluorophenyl)ethoxy]pyrimidin-5-yl]-1,3,4-oxadiazole

2-(difluoromethyl)-5-[2-[(1R)-1-(4-fluorophenyl)ethoxy]pyrimidin-5-yl]-1,3,4-oxadiazole (PubChem CID 162518629) has the molecular formula C15H11F3N4O2 and a molecular weight of 336.27 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[2-[(1R)-1-(4-fluorophenyl)ethoxy]pyrimidin-5-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[2-[(1R)-1-(4-fluorophenyl)ethoxy]pyrimidin-5-yl]-1,3,4-oxadiazole
PubChem CID162518629
Molecular FormulaC15H11F3N4O2
Molecular Weight336.27 g/mol
Exact Mass336.08
IUPAC Name2-(difluoromethyl)-5-[2-[(1R)-1-(4-fluorophenyl)ethoxy]pyrimidin-5-yl]-1,3,4-oxadiazole
SMILESC[C@@H](Oc1ncc(-c2nnc(C(F)F)o2)cn1)c1ccc(F)cc1
InChIInChI=1S/C15H11F3N4O2/c1-8(9-2-4-11(16)5-3-9)23-15-19-6-10(7-20-15)13-21-22-14(24-13)12(17)18/h2-8,12H,1H3/t8-/m1/s1
InChIKeyMGOXBYVHURPFFM-MRVPVSSYSA-N
XLogP3.74
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethyl]acetamide
CID 135320968
N-[(2R)-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethyl]acetamide
CID 146676711
N-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethyl]-2-methylpropane-1-sulfonamide
CID 135320985
2-(difluoromethyl)-5-[2-[1-(2,5-difluorophenyl)cyclobutyl]oxypyrimidin-5-yl]-1,3,4-oxadiazole
CID 162518671
N-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(4-fluorophenyl)propyl]-N-methylacetamide
CID 159924071
2-(difluoromethyl)-5-(2-phenylpyrimidin-5-yl)-1,3,4-oxadiazole
CID 162351204
5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(2,6-difluorophenyl)ethyl]pyrimidin-2-amine
CID 146676716
5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[(1S)-1-(2,6-difluorophenyl)ethyl]pyrimidin-2-amine
CID 146676715
N-[2-[[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-(4-fluorophenyl)methyl]phenyl]methanesulfinamide
CID 142425734
2-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)-1,3,4-oxadiazole
CID 126507083
2-(4-fluorophenyl)-5-(1-naphthalen-2-yloxyethyl)-1,3,4-oxadiazole
CID 43913145
5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(4-fluorophenyl)-2-[4-(trifluoromethyl)imidazol-1-yl]ethyl]pyrimidin-2-amine
CID 135320887

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[2-[(1R)-1-(4-fluorophenyl)ethoxy]pyrimidin-5-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[2-[(1R)-1-(4-fluorophenyl)ethoxy]pyrimidin-5-yl]-1,3,4-oxadiazole (CID 162518629) is 2-(difluoromethyl)-5-[2-[(1R)-1-(4-fluorophenyl)ethoxy]pyrimidin-5-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[2-[(1R)-1-(4-fluorophenyl)ethoxy]pyrimidin-5-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[2-[(1R)-1-(4-fluorophenyl)ethoxy]pyrimidin-5-yl]-1,3,4-oxadiazole is C[C@@H](Oc1ncc(-c2nnc(C(F)F)o2)cn1)c1ccc(F)cc1.
What is the InChIKey of 2-(difluoromethyl)-5-[2-[(1R)-1-(4-fluorophenyl)ethoxy]pyrimidin-5-yl]-1,3,4-oxadiazole?
The InChIKey is MGOXBYVHURPFFM-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H11F3N4O2/c1-8(9-2-4-11(16)5-3-9)23-15-19-6-10(7-20-15)13-21-22-14(24-13)12(17)18/h2-8,12H,1H3/t8-/m1/s1.
What are the key properties of 2-(difluoromethyl)-5-[2-[(1R)-1-(4-fluorophenyl)ethoxy]pyrimidin-5-yl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[2-[(1R)-1-(4-fluorophenyl)ethoxy]pyrimidin-5-yl]-1,3,4-oxadiazole has a molecular weight of 336.27 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[2-[(1R)-1-(4-fluorophenyl)ethoxy]pyrimidin-5-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 162518629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).