2-(difluoromethyl)-5-[5-fluoro-6-(quinazolin-6-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole

C17H10F3N5O2 — CID 169290299

IUPAC2-(difluoromethyl)-5-[5-fluoro-6-(quinazolin-6-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
SMILESFc1cc(-c2nnc(C(F)F)o2)cnc1COc1ccc2ncncc2c1
InChIInChI=1S/C17H10F3N5O2/c18-12-4-10(16-24-25-17(27-16)15(19)20)6-22-14(12)7-26-11-1-2-13-9(3-11)5-21-8-23-13/h1-6,8,15H,7H2
InChIKeyLXCBPAHRHLGUQV-UHFFFAOYSA-N
MW373.29 g/mol
LogP3.73
Rot. Bonds5

About 2-(difluoromethyl)-5-[5-fluoro-6-(quinazolin-6-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole

2-(difluoromethyl)-5-[5-fluoro-6-(quinazolin-6-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 169290299) has the molecular formula C17H10F3N5O2 and a molecular weight of 373.29 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[5-fluoro-6-(quinazolin-6-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[5-fluoro-6-(quinazolin-6-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID169290299
Molecular FormulaC17H10F3N5O2
Molecular Weight373.29 g/mol
Exact Mass373.08
IUPAC Name2-(difluoromethyl)-5-[5-fluoro-6-(quinazolin-6-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
SMILESFc1cc(-c2nnc(C(F)F)o2)cnc1COc1ccc2ncncc2c1
InChIInChI=1S/C17H10F3N5O2/c18-12-4-10(16-24-25-17(27-16)15(19)20)6-22-14(12)7-26-11-1-2-13-9(3-11)5-21-8-23-13/h1-6,8,15H,7H2
InChIKeyLXCBPAHRHLGUQV-UHFFFAOYSA-N
XLogP3.73
TPSA86.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.29
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[5-fluoro-6-(quinazolin-6-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[5-fluoro-6-(quinazolin-6-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole (CID 169290299) is 2-(difluoromethyl)-5-[5-fluoro-6-(quinazolin-6-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[5-fluoro-6-(quinazolin-6-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[5-fluoro-6-(quinazolin-6-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole is Fc1cc(-c2nnc(C(F)F)o2)cnc1COc1ccc2ncncc2c1.
What is the InChIKey of 2-(difluoromethyl)-5-[5-fluoro-6-(quinazolin-6-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is LXCBPAHRHLGUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N5O2/c18-12-4-10(16-24-25-17(27-16)15(19)20)6-22-14(12)7-26-11-1-2-13-9(3-11)5-21-8-23-13/h1-6,8,15H,7H2.
What are the key properties of 2-(difluoromethyl)-5-[5-fluoro-6-(quinazolin-6-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[5-fluoro-6-(quinazolin-6-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 373.29 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[5-fluoro-6-(quinazolin-6-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 169290299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).