2-[(4-fluorophenyl)methyl]-5-methoxy-1,3,4-oxadiazole

C10H9FN2O2 — CID 138961433

IUPAC2-[(4-fluorophenyl)methyl]-5-methoxy-1,3,4-oxadiazole
SMILESCOc1nnc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C10H9FN2O2/c1-14-10-13-12-9(15-10)6-7-2-4-8(11)5-3-7/h2-5H,6H2,1H3
InChIKeyAWWWCNCVZFADSD-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.81
Rot. Bonds3

About 2-[(4-fluorophenyl)methyl]-5-methoxy-1,3,4-oxadiazole

2-[(4-fluorophenyl)methyl]-5-methoxy-1,3,4-oxadiazole (PubChem CID 138961433) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-5-methoxy-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-5-methoxy-1,3,4-oxadiazole
PubChem CID138961433
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Name2-[(4-fluorophenyl)methyl]-5-methoxy-1,3,4-oxadiazole
SMILESCOc1nnc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C10H9FN2O2/c1-14-10-13-12-9(15-10)6-7-2-4-8(11)5-3-7/h2-5H,6H2,1H3
InChIKeyAWWWCNCVZFADSD-UHFFFAOYSA-N
XLogP1.81
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-5-methoxy-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-5-methoxy-1,3,4-oxadiazole (CID 138961433) is 2-[(4-fluorophenyl)methyl]-5-methoxy-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-5-methoxy-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-5-methoxy-1,3,4-oxadiazole is COc1nnc(Cc2ccc(F)cc2)o1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-5-methoxy-1,3,4-oxadiazole?
The InChIKey is AWWWCNCVZFADSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2/c1-14-10-13-12-9(15-10)6-7-2-4-8(11)5-3-7/h2-5H,6H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-5-methoxy-1,3,4-oxadiazole?
2-[(4-fluorophenyl)methyl]-5-methoxy-1,3,4-oxadiazole has a molecular weight of 208.19 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-5-methoxy-1,3,4-oxadiazole is sourced from PubChem (CID 138961433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).