2-(difluoromethyl)-5-[2-[(4-fluorophenoxy)methyl]pyrimidin-5-yl]-1,3,4-oxadiazole

C14H9F3N4O2 — CID 169235935

IUPAC2-(difluoromethyl)-5-[2-[(4-fluorophenoxy)methyl]pyrimidin-5-yl]-1,3,4-oxadiazole
SMILESFc1ccc(OCc2ncc(-c3nnc(C(F)F)o3)cn2)cc1
InChIInChI=1S/C14H9F3N4O2/c15-9-1-3-10(4-2-9)22-7-11-18-5-8(6-19-11)13-20-21-14(23-13)12(16)17/h1-6,12H,7H2
InChIKeyVSMKJCISBXWDAN-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.18
Rot. Bonds5

About 2-(difluoromethyl)-5-[2-[(4-fluorophenoxy)methyl]pyrimidin-5-yl]-1,3,4-oxadiazole

2-(difluoromethyl)-5-[2-[(4-fluorophenoxy)methyl]pyrimidin-5-yl]-1,3,4-oxadiazole (PubChem CID 169235935) has the molecular formula C14H9F3N4O2 and a molecular weight of 322.25 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[2-[(4-fluorophenoxy)methyl]pyrimidin-5-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[2-[(4-fluorophenoxy)methyl]pyrimidin-5-yl]-1,3,4-oxadiazole
PubChem CID169235935
Molecular FormulaC14H9F3N4O2
Molecular Weight322.25 g/mol
Exact Mass322.07
IUPAC Name2-(difluoromethyl)-5-[2-[(4-fluorophenoxy)methyl]pyrimidin-5-yl]-1,3,4-oxadiazole
SMILESFc1ccc(OCc2ncc(-c3nnc(C(F)F)o3)cn2)cc1
InChIInChI=1S/C14H9F3N4O2/c15-9-1-3-10(4-2-9)22-7-11-18-5-8(6-19-11)13-20-21-14(23-13)12(16)17/h1-6,12H,7H2
InChIKeyVSMKJCISBXWDAN-UHFFFAOYSA-N
XLogP3.18
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[2-[(4-fluorophenoxy)methyl]pyrimidin-5-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[2-[(4-fluorophenoxy)methyl]pyrimidin-5-yl]-1,3,4-oxadiazole (CID 169235935) is 2-(difluoromethyl)-5-[2-[(4-fluorophenoxy)methyl]pyrimidin-5-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[2-[(4-fluorophenoxy)methyl]pyrimidin-5-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[2-[(4-fluorophenoxy)methyl]pyrimidin-5-yl]-1,3,4-oxadiazole is Fc1ccc(OCc2ncc(-c3nnc(C(F)F)o3)cn2)cc1.
What is the InChIKey of 2-(difluoromethyl)-5-[2-[(4-fluorophenoxy)methyl]pyrimidin-5-yl]-1,3,4-oxadiazole?
The InChIKey is VSMKJCISBXWDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4O2/c15-9-1-3-10(4-2-9)22-7-11-18-5-8(6-19-11)13-20-21-14(23-13)12(16)17/h1-6,12H,7H2.
What are the key properties of 2-(difluoromethyl)-5-[2-[(4-fluorophenoxy)methyl]pyrimidin-5-yl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[2-[(4-fluorophenoxy)methyl]pyrimidin-5-yl]-1,3,4-oxadiazole has a molecular weight of 322.25 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[2-[(4-fluorophenoxy)methyl]pyrimidin-5-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 169235935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).