5-(3,4-difluorophenyl)-3-pyrimidin-5-yl-1,2-oxazole

C13H7F2N3O — CID 44546482

IUPAC5-(3,4-difluorophenyl)-3-pyrimidin-5-yl-1,2-oxazole
SMILESFc1ccc(-c2cc(-c3cncnc3)no2)cc1F
InChIInChI=1S/C13H7F2N3O/c14-10-2-1-8(3-11(10)15)13-4-12(18-19-13)9-5-16-7-17-6-9/h1-7H
InChIKeyWJWOZDIECOBQSH-UHFFFAOYSA-N
MW259.22 g/mol
LogP3.08
Rot. Bonds2

About 5-(3,4-difluorophenyl)-3-pyrimidin-5-yl-1,2-oxazole

5-(3,4-difluorophenyl)-3-pyrimidin-5-yl-1,2-oxazole (PubChem CID 44546482) has the molecular formula C13H7F2N3O and a molecular weight of 259.22 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-3-pyrimidin-5-yl-1,2-oxazole.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-3-pyrimidin-5-yl-1,2-oxazole
PubChem CID44546482
Molecular FormulaC13H7F2N3O
Molecular Weight259.22 g/mol
Exact Mass259.06
IUPAC Name5-(3,4-difluorophenyl)-3-pyrimidin-5-yl-1,2-oxazole
SMILESFc1ccc(-c2cc(-c3cncnc3)no2)cc1F
InChIInChI=1S/C13H7F2N3O/c14-10-2-1-8(3-11(10)15)13-4-12(18-19-13)9-5-16-7-17-6-9/h1-7H
InChIKeyWJWOZDIECOBQSH-UHFFFAOYSA-N
XLogP3.08
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.22
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-3-pyrimidin-5-yl-1,2-oxazole?
The IUPAC name of 5-(3,4-difluorophenyl)-3-pyrimidin-5-yl-1,2-oxazole (CID 44546482) is 5-(3,4-difluorophenyl)-3-pyrimidin-5-yl-1,2-oxazole.
What is the SMILES notation for 5-(3,4-difluorophenyl)-3-pyrimidin-5-yl-1,2-oxazole?
The canonical SMILES for 5-(3,4-difluorophenyl)-3-pyrimidin-5-yl-1,2-oxazole is Fc1ccc(-c2cc(-c3cncnc3)no2)cc1F.
What is the InChIKey of 5-(3,4-difluorophenyl)-3-pyrimidin-5-yl-1,2-oxazole?
The InChIKey is WJWOZDIECOBQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F2N3O/c14-10-2-1-8(3-11(10)15)13-4-12(18-19-13)9-5-16-7-17-6-9/h1-7H.
What are the key properties of 5-(3,4-difluorophenyl)-3-pyrimidin-5-yl-1,2-oxazole?
5-(3,4-difluorophenyl)-3-pyrimidin-5-yl-1,2-oxazole has a molecular weight of 259.22 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-3-pyrimidin-5-yl-1,2-oxazole is sourced from PubChem (CID 44546482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).