2-(difluoromethyl)-5-[6-[(8-methylquinazolin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole

C18H13F2N5O2 — CID 169290301

IUPAC2-(difluoromethyl)-5-[6-[(8-methylquinazolin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESCc1cccc2c(OCc3ccc(-c4nnc(C(F)F)o4)cn3)ncnc12
InChIInChI=1S/C18H13F2N5O2/c1-10-3-2-4-13-14(10)22-9-23-17(13)26-8-12-6-5-11(7-21-12)16-24-25-18(27-16)15(19)20/h2-7,9,15H,8H2,1H3
InChIKeyOBYYKOBGMRDELL-UHFFFAOYSA-N
MW369.33 g/mol
LogP3.90
Rot. Bonds5

About 2-(difluoromethyl)-5-[6-[(8-methylquinazolin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole

2-(difluoromethyl)-5-[6-[(8-methylquinazolin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 169290301) has the molecular formula C18H13F2N5O2 and a molecular weight of 369.33 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[6-[(8-methylquinazolin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[6-[(8-methylquinazolin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID169290301
Molecular FormulaC18H13F2N5O2
Molecular Weight369.33 g/mol
Exact Mass369.10
IUPAC Name2-(difluoromethyl)-5-[6-[(8-methylquinazolin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESCc1cccc2c(OCc3ccc(-c4nnc(C(F)F)o4)cn3)ncnc12
InChIInChI=1S/C18H13F2N5O2/c1-10-3-2-4-13-14(10)22-9-23-17(13)26-8-12-6-5-11(7-21-12)16-24-25-18(27-16)15(19)20/h2-7,9,15H,8H2,1H3
InChIKeyOBYYKOBGMRDELL-UHFFFAOYSA-N
XLogP3.90
TPSA86.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(difluoromethyl)-5-[6-[(8-methylquinazolin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

US10138212, Example 98
CID 122444924
2-(Difluoromethyl)-5-[5-fluoro-6-(quinazolin-8-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290133
2-(Difluoromethyl)-5-[6-[(2-methylquinazolin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290139
2-(Difluoromethyl)-5-[6-(isoquinolin-8-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290143
2-(Difluoromethyl)-5-[6-(quinazolin-8-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290157
2-(Difluoromethyl)-5-[6-(pyrimidin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290165
2-(Difluoromethyl)-5-[6-(pyrimidin-2-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290178
2-(Difluoromethyl)-5-[2-(quinazolin-8-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole
CID 169290180
2-(Difluoromethyl)-5-[5-fluoro-6-(isoquinolin-8-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290183
2-(Difluoromethyl)-5-[5-fluoro-6-(quinolin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290210
2-(Difluoromethyl)-5-[5-fluoro-6-(quinolin-7-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290223
2-(Difluoromethyl)-5-[6-[[2-(trifluoromethyl)pyrimidin-5-yl]oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290225

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[6-[(8-methylquinazolin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[6-[(8-methylquinazolin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole (CID 169290301) is 2-(difluoromethyl)-5-[6-[(8-methylquinazolin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[6-[(8-methylquinazolin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[6-[(8-methylquinazolin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole is Cc1cccc2c(OCc3ccc(-c4nnc(C(F)F)o4)cn3)ncnc12.
What is the InChIKey of 2-(difluoromethyl)-5-[6-[(8-methylquinazolin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is OBYYKOBGMRDELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N5O2/c1-10-3-2-4-13-14(10)22-9-23-17(13)26-8-12-6-5-11(7-21-12)16-24-25-18(27-16)15(19)20/h2-7,9,15H,8H2,1H3.
What are the key properties of 2-(difluoromethyl)-5-[6-[(8-methylquinazolin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[6-[(8-methylquinazolin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 369.33 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[6-[(8-methylquinazolin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 169290301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).