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

C17H12F2N4O3 — CID 169290146

IUPAC4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole
SMILESCc1noc2cccc(OCc3ccc(-c4nnc(C(F)F)o4)cn3)c12
InChIInChI=1S/C17H12F2N4O3/c1-9-14-12(3-2-4-13(14)26-23-9)24-8-11-6-5-10(7-20-11)16-21-22-17(25-16)15(18)19/h2-7,15H,8H2,1H3
InChIKeyLFMWGZCAXFLUKZ-UHFFFAOYSA-N
MW358.30 g/mol
LogP4.10
Rot. Bonds5

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

4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole (PubChem CID 169290146) has the molecular formula C17H12F2N4O3 and a molecular weight of 358.30 g/mol. Its IUPAC name is 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole.

Molecular Properties

Compound Name4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole
PubChem CID169290146
Molecular FormulaC17H12F2N4O3
Molecular Weight358.30 g/mol
Exact Mass358.09
IUPAC Name4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole
SMILESCc1noc2cccc(OCc3ccc(-c4nnc(C(F)F)o4)cn3)c12
InChIInChI=1S/C17H12F2N4O3/c1-9-14-12(3-2-4-13(14)26-23-9)24-8-11-6-5-10(7-20-11)16-21-22-17(25-16)15(18)19/h2-7,15H,8H2,1H3
InChIKeyLFMWGZCAXFLUKZ-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 4-[[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

2-(Difluoromethyl)-5-[6-[(1-methylindazol-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290117
6-[6-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-1,3-benzoxazol-2-yl]-2-methylpyridazin-3-one
CID 169290125
6-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole
CID 169290155
4-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-1,3-benzoxazole
CID 169290176
2-(Difluoromethyl)-5-[6-(1,2-oxazol-3-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290189
4-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-3-methyl-1,2-benzoxazole
CID 169290202
3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-6-methyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine
CID 169290245
3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 169290287
6-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-3-methyl-1,2-benzoxazole
CID 169290341
6-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-2-methyl-1,3-benzoxazole
CID 169290347
6-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole
CID 169290362
5-[5-[1-(4-Fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine
CID 56784737

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole?
The IUPAC name of 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole (CID 169290146) is 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole.
What is the SMILES notation for 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole?
The canonical SMILES for 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole is Cc1noc2cccc(OCc3ccc(-c4nnc(C(F)F)o4)cn3)c12.
What is the InChIKey of 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole?
The InChIKey is LFMWGZCAXFLUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N4O3/c1-9-14-12(3-2-4-13(14)26-23-9)24-8-11-6-5-10(7-20-11)16-21-22-17(25-16)15(18)19/h2-7,15H,8H2,1H3.
What are the key properties of 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole?
4-[[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 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole is sourced from PubChem (CID 169290146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).