3-[2-[(2,3-difluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole

C13H9F2N3O — CID 141427948

IUPAC3-[2-[(2,3-difluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole
SMILESFc1cccc(Cn2nccc2-c2ccon2)c1F
InChIInChI=1S/C13H9F2N3O/c14-10-3-1-2-9(13(10)15)8-18-12(4-6-16-18)11-5-7-19-17-11/h1-7H,8H2
InChIKeyPTFGYVOCWYGZJF-UHFFFAOYSA-N
MW261.23 g/mol
LogP2.86
Rot. Bonds3

About 3-[2-[(2,3-difluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole

3-[2-[(2,3-difluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole (PubChem CID 141427948) has the molecular formula C13H9F2N3O and a molecular weight of 261.23 g/mol. Its IUPAC name is 3-[2-[(2,3-difluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-[2-[(2,3-difluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole
PubChem CID141427948
Molecular FormulaC13H9F2N3O
Molecular Weight261.23 g/mol
Exact Mass261.07
IUPAC Name3-[2-[(2,3-difluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole
SMILESFc1cccc(Cn2nccc2-c2ccon2)c1F
InChIInChI=1S/C13H9F2N3O/c14-10-3-1-2-9(13(10)15)8-18-12(4-6-16-18)11-5-7-19-17-11/h1-7H,8H2
InChIKeyPTFGYVOCWYGZJF-UHFFFAOYSA-N
XLogP2.86
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2,3-difluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole?
The IUPAC name of 3-[2-[(2,3-difluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole (CID 141427948) is 3-[2-[(2,3-difluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole.
What is the SMILES notation for 3-[2-[(2,3-difluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole?
The canonical SMILES for 3-[2-[(2,3-difluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole is Fc1cccc(Cn2nccc2-c2ccon2)c1F.
What is the InChIKey of 3-[2-[(2,3-difluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole?
The InChIKey is PTFGYVOCWYGZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3O/c14-10-3-1-2-9(13(10)15)8-18-12(4-6-16-18)11-5-7-19-17-11/h1-7H,8H2.
What are the key properties of 3-[2-[(2,3-difluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole?
3-[2-[(2,3-difluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole has a molecular weight of 261.23 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2,3-difluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole is sourced from PubChem (CID 141427948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).