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

C15H9F2N5O3 — CID 169290175

IUPAC4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-1,3-benzoxazole
SMILESFC(F)c1nnc(-c2cnc(COc3cccc4ocnc34)nc2)o1
InChIInChI=1S/C15H9F2N5O3/c16-13(17)15-22-21-14(25-15)8-4-18-11(19-5-8)6-23-9-2-1-3-10-12(9)20-7-24-10/h1-5,7,13H,6H2
InChIKeyCUUGRCQFVZLOKF-UHFFFAOYSA-N
MW345.27 g/mol
LogP3.18
Rot. Bonds5

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

4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-1,3-benzoxazole (PubChem CID 169290175) has the molecular formula C15H9F2N5O3 and a molecular weight of 345.27 g/mol. Its IUPAC name is 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-1,3-benzoxazole.

Molecular Properties

Compound Name4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-1,3-benzoxazole
PubChem CID169290175
Molecular FormulaC15H9F2N5O3
Molecular Weight345.27 g/mol
Exact Mass345.07
IUPAC Name4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-1,3-benzoxazole
SMILESFC(F)c1nnc(-c2cnc(COc3cccc4ocnc34)nc2)o1
InChIInChI=1S/C15H9F2N5O3/c16-13(17)15-22-21-14(25-15)8-4-18-11(19-5-8)6-23-9-2-1-3-10-12(9)20-7-24-10/h1-5,7,13H,6H2
InChIKeyCUUGRCQFVZLOKF-UHFFFAOYSA-N
XLogP3.18
TPSA99.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-[2-[Bis(tritritiomethyl)amino]pyrimidin-5-yl]-1,3-benzoxazol-6-ol
CID 54587360
5-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-2-methyl-1,3-benzoxazole
CID 169290151
4-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-1,3-benzoxazole
CID 169290176
4-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-3-methyl-1,2-benzoxazole
CID 169290202
5-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-1,3-benzoxazole
CID 169290204
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
2-(1,3-Benzoxazol-2-ylmethyl)-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one
CID 147954391
2-[(5-Fluoro-1,3-benzoxazol-2-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one
CID 153582987
4-[2-Chloro-5-(trifluoromethyl)pyrimidin-4-yl]oxy-1,3-benzoxazole
CID 145969074
4-(2-Chloro-5-methylpyrimidin-4-yl)oxy-1,3-benzoxazole
CID 145969565
Methyl 4-(1,3-benzoxazol-4-yloxy)-2-chloropyrimidine-5-carboxylate
CID 145971175

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-1,3-benzoxazole?
The IUPAC name of 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-1,3-benzoxazole (CID 169290175) is 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-1,3-benzoxazole.
What is the SMILES notation for 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-1,3-benzoxazole?
The canonical SMILES for 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-1,3-benzoxazole is FC(F)c1nnc(-c2cnc(COc3cccc4ocnc34)nc2)o1.
What is the InChIKey of 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-1,3-benzoxazole?
The InChIKey is CUUGRCQFVZLOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2N5O3/c16-13(17)15-22-21-14(25-15)8-4-18-11(19-5-8)6-23-9-2-1-3-10-12(9)20-7-24-10/h1-5,7,13H,6H2.
What are the key properties of 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-1,3-benzoxazole?
4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-1,3-benzoxazole has a molecular weight of 345.27 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-1,3-benzoxazole is sourced from PubChem (CID 169290175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).