6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole

C17H12F2N4O3 — CID 169290155

IUPAC6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole
SMILESCc1noc2cc(OCc3ccc(-c4nnc(C(F)F)o4)cn3)ccc12
InChIInChI=1S/C17H12F2N4O3/c1-9-13-5-4-12(6-14(13)26-23-9)24-8-11-3-2-10(7-20-11)16-21-22-17(25-16)15(18)19/h2-7,15H,8H2,1H3
InChIKeyGHEYGXMQJSUUPB-UHFFFAOYSA-N
MW358.30 g/mol
LogP4.10
Rot. Bonds5

About 6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole

6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole (PubChem CID 169290155) has the molecular formula C17H12F2N4O3 and a molecular weight of 358.30 g/mol. Its IUPAC name is 6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole.

Molecular Properties

Compound Name6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole
PubChem CID169290155
Molecular FormulaC17H12F2N4O3
Molecular Weight358.30 g/mol
Exact Mass358.09
IUPAC Name6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole
SMILESCc1noc2cc(OCc3ccc(-c4nnc(C(F)F)o4)cn3)ccc12
InChIInChI=1S/C17H12F2N4O3/c1-9-13-5-4-12(6-14(13)26-23-9)24-8-11-3-2-10(7-20-11)16-21-22-17(25-16)15(18)19/h2-7,15H,8H2,1H3
InChIKeyGHEYGXMQJSUUPB-UHFFFAOYSA-N
XLogP4.10
TPSA87.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.30
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole with MolForge

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Related Compounds

6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-3-methyl-1,2-benzoxazole
CID 169290341
6-[[3-fluoro-5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole
CID 170284167
2-(difluoromethyl)-5-[6-(pyrimidin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290165
2-(difluoromethyl)-5-[6-[(2-methylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290154
2-(1-fluoroethyl)-5-[6-[(6-methyl-3-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 170284073
2-fluoro-5-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]benzonitrile
CID 169235929
2-(difluoromethyl)-5-[6-[(3-methyl-4-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290152
2-(difluoromethyl)-5-[6-[[5-[2-(3-methylphenyl)ethynyl]-3-pyridinyl]oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 178145906
2-(difluoromethyl)-5-[6-[[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290317
2-(difluoromethyl)-5-[6-(quinolin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290136
2-(difluoromethyl)-5-[6-[(5,6-dimethylbenzimidazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 162767597
2-(difluoromethyl)-5-[6-(isoquinolin-4-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290364

Frequently Asked Questions

What is the IUPAC name of 6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole?
The IUPAC name of 6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole (CID 169290155) is 6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole.
What is the SMILES notation for 6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole?
The canonical SMILES for 6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole is Cc1noc2cc(OCc3ccc(-c4nnc(C(F)F)o4)cn3)ccc12.
What is the InChIKey of 6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole?
The InChIKey is GHEYGXMQJSUUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N4O3/c1-9-13-5-4-12(6-14(13)26-23-9)24-8-11-3-2-10(7-20-11)16-21-22-17(25-16)15(18)19/h2-7,15H,8H2,1H3.
What are the key properties of 6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole?
6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole has a molecular weight of 358.30 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole is sourced from PubChem (CID 169290155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).