4-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole

C17H12FN5O — CID 69094202

IUPAC4-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole
SMILESFc1ccccc1Cn1nc(-c2ccccn2)nc1-c1cocn1
InChIInChI=1S/C17H12FN5O/c18-13-6-2-1-5-12(13)9-23-17(15-10-24-11-20-15)21-16(22-23)14-7-3-4-8-19-14/h1-8,10-11H,9H2
InChIKeyYXTHLZUWMPDZEJ-UHFFFAOYSA-N
MW321.32 g/mol
LogP3.18
Rot. Bonds4

About 4-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole

4-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole (PubChem CID 69094202) has the molecular formula C17H12FN5O and a molecular weight of 321.32 g/mol. Its IUPAC name is 4-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole.

Molecular Properties

Compound Name4-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole
PubChem CID69094202
Molecular FormulaC17H12FN5O
Molecular Weight321.32 g/mol
Exact Mass321.10
IUPAC Name4-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole
SMILESFc1ccccc1Cn1nc(-c2ccccn2)nc1-c1cocn1
InChIInChI=1S/C17H12FN5O/c18-13-6-2-1-5-12(13)9-23-17(15-10-24-11-20-15)21-16(22-23)14-7-3-4-8-19-14/h1-8,10-11H,9H2
InChIKeyYXTHLZUWMPDZEJ-UHFFFAOYSA-N
XLogP3.18
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole?
The IUPAC name of 4-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole (CID 69094202) is 4-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole.
What is the SMILES notation for 4-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole?
The canonical SMILES for 4-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole is Fc1ccccc1Cn1nc(-c2ccccn2)nc1-c1cocn1.
What is the InChIKey of 4-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole?
The InChIKey is YXTHLZUWMPDZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5O/c18-13-6-2-1-5-12(13)9-23-17(15-10-24-11-20-15)21-16(22-23)14-7-3-4-8-19-14/h1-8,10-11H,9H2.
What are the key properties of 4-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole?
4-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole has a molecular weight of 321.32 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole is sourced from PubChem (CID 69094202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).