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

C13H10FN3O — CID 141336680

IUPAC3-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole
SMILESFc1ccccc1Cn1nccc1-c1ccon1
InChIInChI=1S/C13H10FN3O/c14-11-4-2-1-3-10(11)9-17-13(5-7-15-17)12-6-8-18-16-12/h1-8H,9H2
InChIKeyPUVNTNQDMMLLAB-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.73
Rot. Bonds3

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

3-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole (PubChem CID 141336680) has the molecular formula C13H10FN3O and a molecular weight of 243.24 g/mol. Its IUPAC name is 3-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole
PubChem CID141336680
Molecular FormulaC13H10FN3O
Molecular Weight243.24 g/mol
Exact Mass243.08
IUPAC Name3-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole
SMILESFc1ccccc1Cn1nccc1-c1ccon1
InChIInChI=1S/C13H10FN3O/c14-11-4-2-1-3-10(11)9-17-13(5-7-15-17)12-6-8-18-16-12/h1-8H,9H2
InChIKeyPUVNTNQDMMLLAB-UHFFFAOYSA-N
XLogP2.73
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole?
The IUPAC name of 3-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole (CID 141336680) is 3-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole.
What is the SMILES notation for 3-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole?
The canonical SMILES for 3-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole is Fc1ccccc1Cn1nccc1-c1ccon1.
What is the InChIKey of 3-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole?
The InChIKey is PUVNTNQDMMLLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O/c14-11-4-2-1-3-10(11)9-17-13(5-7-15-17)12-6-8-18-16-12/h1-8H,9H2.
What are the key properties of 3-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole?
3-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole has a molecular weight of 243.24 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole is sourced from PubChem (CID 141336680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).