[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl acetate

C11H9FN2O3 — CID 129267909

IUPAC[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl acetate
SMILESCC(=O)OCc1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C11H9FN2O3/c1-7(15)16-6-10-13-11(14-17-10)8-3-2-4-9(12)5-8/h2-5H,6H2,1H3
InChIKeyTYELSKPQVOOHTL-UHFFFAOYSA-N
MW236.20 g/mol
LogP1.94
Rot. Bonds3

About [3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl acetate

[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl acetate (PubChem CID 129267909) has the molecular formula C11H9FN2O3 and a molecular weight of 236.20 g/mol. Its IUPAC name is [3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl acetate.

Molecular Properties

Compound Name[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl acetate
PubChem CID129267909
Molecular FormulaC11H9FN2O3
Molecular Weight236.20 g/mol
Exact Mass236.06
IUPAC Name[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl acetate
SMILESCC(=O)OCc1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C11H9FN2O3/c1-7(15)16-6-10-13-11(14-17-10)8-3-2-4-9(12)5-8/h2-5H,6H2,1H3
InChIKeyTYELSKPQVOOHTL-UHFFFAOYSA-N
XLogP1.94
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

acetamide;[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 145151193
[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2,5-difluorobenzoate
CID 46856583
1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-one
CID 63344235
2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone
CID 63345430
[3-[3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl acetate
CID 66587343
1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
CID 63346038
3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide
CID 100754453
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl (E)-3-(3-fluorophenyl)prop-2-enoate
CID 8514984
1-[2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-5-fluorophenyl]ethanone
CID 112797296
3-(3-fluoro-4-methylphenyl)-5-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 86917000
[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-chloro-2-fluorobenzoate
CID 8664385
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-chloro-4-fluorobenzoate
CID 8764401

Frequently Asked Questions

What is the IUPAC name of [3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl acetate?
The IUPAC name of [3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl acetate (CID 129267909) is [3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl acetate.
What is the SMILES notation for [3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl acetate?
The canonical SMILES for [3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl acetate is CC(=O)OCc1nc(-c2cccc(F)c2)no1.
What is the InChIKey of [3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl acetate?
The InChIKey is TYELSKPQVOOHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3/c1-7(15)16-6-10-13-11(14-17-10)8-3-2-4-9(12)5-8/h2-5H,6H2,1H3.
What are the key properties of [3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl acetate?
[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl acetate has a molecular weight of 236.20 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl acetate is sourced from PubChem (CID 129267909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).