2-(difluoromethyl)-5-[2-(quinazolin-8-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole

C16H10F2N6O2 — CID 169290180

IUPAC2-(difluoromethyl)-5-[2-(quinazolin-8-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2cnc(COc3cccc4cncnc34)nc2)o1
InChIInChI=1S/C16H10F2N6O2/c17-14(18)16-24-23-15(26-16)10-5-20-12(21-6-10)7-25-11-3-1-2-9-4-19-8-22-13(9)11/h1-6,8,14H,7H2
InChIKeyKKCJMDHGXYNGJT-UHFFFAOYSA-N
MW356.29 g/mol
LogP2.99
Rot. Bonds5

About 2-(difluoromethyl)-5-[2-(quinazolin-8-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole

2-(difluoromethyl)-5-[2-(quinazolin-8-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole (PubChem CID 169290180) has the molecular formula C16H10F2N6O2 and a molecular weight of 356.29 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[2-(quinazolin-8-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[2-(quinazolin-8-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole
PubChem CID169290180
Molecular FormulaC16H10F2N6O2
Molecular Weight356.29 g/mol
Exact Mass356.08
IUPAC Name2-(difluoromethyl)-5-[2-(quinazolin-8-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2cnc(COc3cccc4cncnc34)nc2)o1
InChIInChI=1S/C16H10F2N6O2/c17-14(18)16-24-23-15(26-16)10-5-20-12(21-6-10)7-25-11-3-1-2-9-4-19-8-22-13(9)11/h1-6,8,14H,7H2
InChIKeyKKCJMDHGXYNGJT-UHFFFAOYSA-N
XLogP2.99
TPSA99.71 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.29
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[2-(quinazolin-8-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[2-(quinazolin-8-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole (CID 169290180) is 2-(difluoromethyl)-5-[2-(quinazolin-8-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[2-(quinazolin-8-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[2-(quinazolin-8-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole is FC(F)c1nnc(-c2cnc(COc3cccc4cncnc34)nc2)o1.
What is the InChIKey of 2-(difluoromethyl)-5-[2-(quinazolin-8-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole?
The InChIKey is KKCJMDHGXYNGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N6O2/c17-14(18)16-24-23-15(26-16)10-5-20-12(21-6-10)7-25-11-3-1-2-9-4-19-8-22-13(9)11/h1-6,8,14H,7H2.
What are the key properties of 2-(difluoromethyl)-5-[2-(quinazolin-8-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[2-(quinazolin-8-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole has a molecular weight of 356.29 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[2-(quinazolin-8-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 169290180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).