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

C15H9F2N5O3 — CID 169290204

IUPAC5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-1,3-benzoxazole
SMILESFC(F)c1nnc(-c2cnc(COc3ccc4ocnc4c3)nc2)o1
InChIInChI=1S/C15H9F2N5O3/c16-13(17)15-22-21-14(25-15)8-4-18-12(19-5-8)6-23-9-1-2-11-10(3-9)20-7-24-11/h1-5,7,13H,6H2
InChIKeyNFVFXFUCCBHCNE-UHFFFAOYSA-N
MW345.27 g/mol
LogP3.18
Rot. Bonds5

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

5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-1,3-benzoxazole (PubChem CID 169290204) has the molecular formula C15H9F2N5O3 and a molecular weight of 345.27 g/mol. Its IUPAC name is 5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-1,3-benzoxazole.

Molecular Properties

Compound Name5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-1,3-benzoxazole
PubChem CID169290204
Molecular FormulaC15H9F2N5O3
Molecular Weight345.27 g/mol
Exact Mass345.07
IUPAC Name5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-1,3-benzoxazole
SMILESFC(F)c1nnc(-c2cnc(COc3ccc4ocnc4c3)nc2)o1
InChIInChI=1S/C15H9F2N5O3/c16-13(17)15-22-21-14(25-15)8-4-18-12(19-5-8)6-23-9-1-2-11-10(3-9)20-7-24-11/h1-5,7,13H,6H2
InChIKeyNFVFXFUCCBHCNE-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

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-1,3-benzoxazole?
The IUPAC name of 5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-1,3-benzoxazole (CID 169290204) is 5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-1,3-benzoxazole.
What is the SMILES notation for 5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-1,3-benzoxazole?
The canonical SMILES for 5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-1,3-benzoxazole is FC(F)c1nnc(-c2cnc(COc3ccc4ocnc4c3)nc2)o1.
What is the InChIKey of 5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-1,3-benzoxazole?
The InChIKey is NFVFXFUCCBHCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2N5O3/c16-13(17)15-22-21-14(25-15)8-4-18-12(19-5-8)6-23-9-1-2-11-10(3-9)20-7-24-11/h1-5,7,13H,6H2.
What are the key properties of 5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-1,3-benzoxazole?
5-[[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 5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-1,3-benzoxazole is sourced from PubChem (CID 169290204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).