5-(2-fluorophenyl)-3-(tetrazol-1-ylmethyl)-1,2-oxazole

C11H8FN5O — CID 167966388

IUPAC5-(2-fluorophenyl)-3-(tetrazol-1-ylmethyl)-1,2-oxazole
SMILESFc1ccccc1-c1cc(Cn2cnnn2)no1
InChIInChI=1S/C11H8FN5O/c12-10-4-2-1-3-9(10)11-5-8(14-18-11)6-17-7-13-15-16-17/h1-5,7H,6H2
InChIKeyRANQTKDQLXHKHK-UHFFFAOYSA-N
MW245.22 g/mol
LogP1.52
Rot. Bonds3

About 5-(2-fluorophenyl)-3-(tetrazol-1-ylmethyl)-1,2-oxazole

5-(2-fluorophenyl)-3-(tetrazol-1-ylmethyl)-1,2-oxazole (PubChem CID 167966388) has the molecular formula C11H8FN5O and a molecular weight of 245.22 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-3-(tetrazol-1-ylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(2-fluorophenyl)-3-(tetrazol-1-ylmethyl)-1,2-oxazole
PubChem CID167966388
Molecular FormulaC11H8FN5O
Molecular Weight245.22 g/mol
Exact Mass245.07
IUPAC Name5-(2-fluorophenyl)-3-(tetrazol-1-ylmethyl)-1,2-oxazole
SMILESFc1ccccc1-c1cc(Cn2cnnn2)no1
InChIInChI=1S/C11H8FN5O/c12-10-4-2-1-3-9(10)11-5-8(14-18-11)6-17-7-13-15-16-17/h1-5,7H,6H2
InChIKeyRANQTKDQLXHKHK-UHFFFAOYSA-N
XLogP1.52
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-3-(tetrazol-1-ylmethyl)-1,2-oxazole?
The IUPAC name of 5-(2-fluorophenyl)-3-(tetrazol-1-ylmethyl)-1,2-oxazole (CID 167966388) is 5-(2-fluorophenyl)-3-(tetrazol-1-ylmethyl)-1,2-oxazole.
What is the SMILES notation for 5-(2-fluorophenyl)-3-(tetrazol-1-ylmethyl)-1,2-oxazole?
The canonical SMILES for 5-(2-fluorophenyl)-3-(tetrazol-1-ylmethyl)-1,2-oxazole is Fc1ccccc1-c1cc(Cn2cnnn2)no1.
What is the InChIKey of 5-(2-fluorophenyl)-3-(tetrazol-1-ylmethyl)-1,2-oxazole?
The InChIKey is RANQTKDQLXHKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN5O/c12-10-4-2-1-3-9(10)11-5-8(14-18-11)6-17-7-13-15-16-17/h1-5,7H,6H2.
What are the key properties of 5-(2-fluorophenyl)-3-(tetrazol-1-ylmethyl)-1,2-oxazole?
5-(2-fluorophenyl)-3-(tetrazol-1-ylmethyl)-1,2-oxazole has a molecular weight of 245.22 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-3-(tetrazol-1-ylmethyl)-1,2-oxazole is sourced from PubChem (CID 167966388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).