2-(difluoromethyl)-5-[6-[(5-fluoro-2-methylpyrimidin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole

C14H10F3N5O2 — CID 169290261

IUPAC2-(difluoromethyl)-5-[6-[(5-fluoro-2-methylpyrimidin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESCc1ncc(F)c(OCc2ccc(-c3nnc(C(F)F)o3)cn2)n1
InChIInChI=1S/C14H10F3N5O2/c1-7-18-5-10(15)13(20-7)23-6-9-3-2-8(4-19-9)12-21-22-14(24-12)11(16)17/h2-5,11H,6H2,1H3
InChIKeyVNKQPGCULIMYOW-UHFFFAOYSA-N
MW337.26 g/mol
LogP2.89
Rot. Bonds5

About 2-(difluoromethyl)-5-[6-[(5-fluoro-2-methylpyrimidin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole

2-(difluoromethyl)-5-[6-[(5-fluoro-2-methylpyrimidin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 169290261) has the molecular formula C14H10F3N5O2 and a molecular weight of 337.26 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[6-[(5-fluoro-2-methylpyrimidin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[6-[(5-fluoro-2-methylpyrimidin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID169290261
Molecular FormulaC14H10F3N5O2
Molecular Weight337.26 g/mol
Exact Mass337.08
IUPAC Name2-(difluoromethyl)-5-[6-[(5-fluoro-2-methylpyrimidin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESCc1ncc(F)c(OCc2ccc(-c3nnc(C(F)F)o3)cn2)n1
InChIInChI=1S/C14H10F3N5O2/c1-7-18-5-10(15)13(20-7)23-6-9-3-2-8(4-19-9)12-21-22-14(24-12)11(16)17/h2-5,11H,6H2,1H3
InChIKeyVNKQPGCULIMYOW-UHFFFAOYSA-N
XLogP2.89
TPSA86.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(difluoromethyl)-5-[6-[(5-fluoro-2-methylpyrimidin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-(Difluoromethyl)-5-[6-[(5-fluoro-3-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169235773
2-(Difluoromethyl)-5-[6-(pyridin-4-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169235825
2-(Difluoromethyl)-5-[5-fluoro-6-(imidazo[1,2-a]pyridin-8-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169235861
2-(Difluoromethyl)-5-[6-[(4-fluorophenoxy)methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169235900
2-[6-[(5-Cyclopropyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole
CID 169290114
2-(Difluoromethyl)-5-[5-fluoro-6-(quinazolin-8-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290133
2-(Difluoromethyl)-5-[6-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290135
2-[6-[(6-Cyclopropylpyridazin-3-yl)oxymethyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole
CID 169290137
2-(Difluoromethyl)-5-[6-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290138
2-(Difluoromethyl)-5-[6-[(2-methylquinazolin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290139
2-(Difluoromethyl)-5-[6-[(1-ethylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290144
2-(Difluoromethyl)-5-[6-[(1-methylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290147

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[6-[(5-fluoro-2-methylpyrimidin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[6-[(5-fluoro-2-methylpyrimidin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole (CID 169290261) is 2-(difluoromethyl)-5-[6-[(5-fluoro-2-methylpyrimidin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[6-[(5-fluoro-2-methylpyrimidin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[6-[(5-fluoro-2-methylpyrimidin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole is Cc1ncc(F)c(OCc2ccc(-c3nnc(C(F)F)o3)cn2)n1.
What is the InChIKey of 2-(difluoromethyl)-5-[6-[(5-fluoro-2-methylpyrimidin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is VNKQPGCULIMYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5O2/c1-7-18-5-10(15)13(20-7)23-6-9-3-2-8(4-19-9)12-21-22-14(24-12)11(16)17/h2-5,11H,6H2,1H3.
What are the key properties of 2-(difluoromethyl)-5-[6-[(5-fluoro-2-methylpyrimidin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[6-[(5-fluoro-2-methylpyrimidin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 337.26 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[6-[(5-fluoro-2-methylpyrimidin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 169290261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).