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

C11H8FN5O — CID 2744839

IUPAC3-[1-(4-fluorophenyl)tetrazol-5-yl]-5-methyl-1,2-oxazole
SMILESCc1cc(-c2nnnn2-c2ccc(F)cc2)no1
InChIInChI=1S/C11H8FN5O/c1-7-6-10(14-18-7)11-13-15-16-17(11)9-4-2-8(12)3-5-9/h2-6H,1H3
InChIKeyUXBPGXDQCMZJDV-UHFFFAOYSA-N
MW245.22 g/mol
LogP1.76
Rot. Bonds2

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

3-[1-(4-fluorophenyl)tetrazol-5-yl]-5-methyl-1,2-oxazole (PubChem CID 2744839) has the molecular formula C11H8FN5O and a molecular weight of 245.22 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)tetrazol-5-yl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)tetrazol-5-yl]-5-methyl-1,2-oxazole
PubChem CID2744839
Molecular FormulaC11H8FN5O
Molecular Weight245.22 g/mol
Exact Mass245.07
IUPAC Name3-[1-(4-fluorophenyl)tetrazol-5-yl]-5-methyl-1,2-oxazole
SMILESCc1cc(-c2nnnn2-c2ccc(F)cc2)no1
InChIInChI=1S/C11H8FN5O/c1-7-6-10(14-18-7)11-13-15-16-17(11)9-4-2-8(12)3-5-9/h2-6H,1H3
InChIKeyUXBPGXDQCMZJDV-UHFFFAOYSA-N
XLogP1.76
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)tetrazol-5-yl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[1-(4-fluorophenyl)tetrazol-5-yl]-5-methyl-1,2-oxazole (CID 2744839) is 3-[1-(4-fluorophenyl)tetrazol-5-yl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[1-(4-fluorophenyl)tetrazol-5-yl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[1-(4-fluorophenyl)tetrazol-5-yl]-5-methyl-1,2-oxazole is Cc1cc(-c2nnnn2-c2ccc(F)cc2)no1.
What is the InChIKey of 3-[1-(4-fluorophenyl)tetrazol-5-yl]-5-methyl-1,2-oxazole?
The InChIKey is UXBPGXDQCMZJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN5O/c1-7-6-10(14-18-7)11-13-15-16-17(11)9-4-2-8(12)3-5-9/h2-6H,1H3.
What are the key properties of 3-[1-(4-fluorophenyl)tetrazol-5-yl]-5-methyl-1,2-oxazole?
3-[1-(4-fluorophenyl)tetrazol-5-yl]-5-methyl-1,2-oxazole has a molecular weight of 245.22 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)tetrazol-5-yl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 2744839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).