[2-[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate

C16H10F2N2O3 — CID 135391526

IUPAC[2-[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1-c1nnc(-c2c(F)cccc2F)o1
InChIInChI=1S/C16H10F2N2O3/c1-9(21)22-13-8-3-2-5-10(13)15-19-20-16(23-15)14-11(17)6-4-7-12(14)18/h2-8H,1H3
InChIKeyKCNODYKMAXAXMY-UHFFFAOYSA-N
MW316.26 g/mol
LogP3.61
Rot. Bonds3

About [2-[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate

[2-[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate (PubChem CID 135391526) has the molecular formula C16H10F2N2O3 and a molecular weight of 316.26 g/mol. Its IUPAC name is [2-[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate.

Molecular Properties

Compound Name[2-[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate
PubChem CID135391526
Molecular FormulaC16H10F2N2O3
Molecular Weight316.26 g/mol
Exact Mass316.07
IUPAC Name[2-[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1-c1nnc(-c2c(F)cccc2F)o1
InChIInChI=1S/C16H10F2N2O3/c1-9(21)22-13-8-3-2-5-10(13)15-19-20-16(23-15)14-11(17)6-4-7-12(14)18/h2-8H,1H3
InChIKeyKCNODYKMAXAXMY-UHFFFAOYSA-N
XLogP3.61
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[2-[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl] 4-methylbenzenesulfonate
CID 137346309
(2-acetyloxy-3-fluorophenyl) acetate
CID 540078
acetyl acetate;(2-fluorophenyl) acetate
CID 158232558
2-(2,6-difluorophenyl)-5-(2-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 68520217
[2-[2-acetyloxy-6-(trifluoromethyl)phenyl]phenyl] acetate
CID 135057575
2-[2-(2-fluoro-6-propan-2-yloxyphenyl)phenyl]-5-methyl-1,3,4-oxadiazole
CID 56719832
[2-[3-(2-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl] acetate
CID 164843766
2-(2-methylphenyl)-5-(2,3,4,5,6-pentafluorophenyl)-1,3,4-oxadiazole
CID 102525584
[2-(2-iodophenyl)phenyl] acetate
CID 134890357
2-(2,6-difluorophenyl)-5-(2-prop-2-enylsulfanylphenyl)-1,3,4-oxadiazole
CID 126720554
dibenzofuran-1-yl acetate
CID 14227245
[2-(2-fluorophenyl)sulfanylphenyl] acetate
CID 20513500

Frequently Asked Questions

What is the IUPAC name of [2-[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate?
The IUPAC name of [2-[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate (CID 135391526) is [2-[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate.
What is the SMILES notation for [2-[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate?
The canonical SMILES for [2-[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate is CC(=O)Oc1ccccc1-c1nnc(-c2c(F)cccc2F)o1.
What is the InChIKey of [2-[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate?
The InChIKey is KCNODYKMAXAXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N2O3/c1-9(21)22-13-8-3-2-5-10(13)15-19-20-16(23-15)14-11(17)6-4-7-12(14)18/h2-8H,1H3.
What are the key properties of [2-[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate?
[2-[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate has a molecular weight of 316.26 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate is sourced from PubChem (CID 135391526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).