3-(difluoromethyl)-5-[2-fluoro-6-(5-fluoropyrimidin-4-yl)oxyphenyl]-1,2-oxazole

C14H7F4N3O2 — CID 166504482

IUPAC3-(difluoromethyl)-5-[2-fluoro-6-(5-fluoropyrimidin-4-yl)oxyphenyl]-1,2-oxazole
SMILESFc1cncnc1Oc1cccc(F)c1-c1cc(C(F)F)no1
InChIInChI=1S/C14H7F4N3O2/c15-7-2-1-3-10(22-14-8(16)5-19-6-20-14)12(7)11-4-9(13(17)18)21-23-11/h1-6,13H
InChIKeyFVQSBNMAXGAUHT-UHFFFAOYSA-N
MW325.22 g/mol
LogP4.14
Rot. Bonds4

About 3-(difluoromethyl)-5-[2-fluoro-6-(5-fluoropyrimidin-4-yl)oxyphenyl]-1,2-oxazole

3-(difluoromethyl)-5-[2-fluoro-6-(5-fluoropyrimidin-4-yl)oxyphenyl]-1,2-oxazole (PubChem CID 166504482) has the molecular formula C14H7F4N3O2 and a molecular weight of 325.22 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-[2-fluoro-6-(5-fluoropyrimidin-4-yl)oxyphenyl]-1,2-oxazole.

Molecular Properties

Compound Name3-(difluoromethyl)-5-[2-fluoro-6-(5-fluoropyrimidin-4-yl)oxyphenyl]-1,2-oxazole
PubChem CID166504482
Molecular FormulaC14H7F4N3O2
Molecular Weight325.22 g/mol
Exact Mass325.05
IUPAC Name3-(difluoromethyl)-5-[2-fluoro-6-(5-fluoropyrimidin-4-yl)oxyphenyl]-1,2-oxazole
SMILESFc1cncnc1Oc1cccc(F)c1-c1cc(C(F)F)no1
InChIInChI=1S/C14H7F4N3O2/c15-7-2-1-3-10(22-14-8(16)5-19-6-20-14)12(7)11-4-9(13(17)18)21-23-11/h1-6,13H
InChIKeyFVQSBNMAXGAUHT-UHFFFAOYSA-N
XLogP4.14
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.22
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-[2-fluoro-6-(5-fluoropyrimidin-4-yl)oxyphenyl]-1,2-oxazole?
The IUPAC name of 3-(difluoromethyl)-5-[2-fluoro-6-(5-fluoropyrimidin-4-yl)oxyphenyl]-1,2-oxazole (CID 166504482) is 3-(difluoromethyl)-5-[2-fluoro-6-(5-fluoropyrimidin-4-yl)oxyphenyl]-1,2-oxazole.
What is the SMILES notation for 3-(difluoromethyl)-5-[2-fluoro-6-(5-fluoropyrimidin-4-yl)oxyphenyl]-1,2-oxazole?
The canonical SMILES for 3-(difluoromethyl)-5-[2-fluoro-6-(5-fluoropyrimidin-4-yl)oxyphenyl]-1,2-oxazole is Fc1cncnc1Oc1cccc(F)c1-c1cc(C(F)F)no1.
What is the InChIKey of 3-(difluoromethyl)-5-[2-fluoro-6-(5-fluoropyrimidin-4-yl)oxyphenyl]-1,2-oxazole?
The InChIKey is FVQSBNMAXGAUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F4N3O2/c15-7-2-1-3-10(22-14-8(16)5-19-6-20-14)12(7)11-4-9(13(17)18)21-23-11/h1-6,13H.
What are the key properties of 3-(difluoromethyl)-5-[2-fluoro-6-(5-fluoropyrimidin-4-yl)oxyphenyl]-1,2-oxazole?
3-(difluoromethyl)-5-[2-fluoro-6-(5-fluoropyrimidin-4-yl)oxyphenyl]-1,2-oxazole has a molecular weight of 325.22 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-[2-fluoro-6-(5-fluoropyrimidin-4-yl)oxyphenyl]-1,2-oxazole is sourced from PubChem (CID 166504482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).