(3-fluorophenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate

C22H15FN2O3 — CID 2304267

IUPAC(3-fluorophenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
SMILESO=C(OCc1cccc(F)c1)c1cccc(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C22H15FN2O3/c23-19-11-4-6-15(12-19)14-27-22(26)18-10-5-9-17(13-18)21-25-24-20(28-21)16-7-2-1-3-8-16/h1-13H,14H2
InChIKeyOXDUFBHUKXBOQN-UHFFFAOYSA-N
MW374.37 g/mol
LogP4.90
Rot. Bonds5

About (3-fluorophenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate

(3-fluorophenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate (PubChem CID 2304267) has the molecular formula C22H15FN2O3 and a molecular weight of 374.37 g/mol. Its IUPAC name is (3-fluorophenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate.

Molecular Properties

Compound Name(3-fluorophenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
PubChem CID2304267
Molecular FormulaC22H15FN2O3
Molecular Weight374.37 g/mol
Exact Mass374.11
IUPAC Name(3-fluorophenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
SMILESO=C(OCc1cccc(F)c1)c1cccc(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C22H15FN2O3/c23-19-11-4-6-15(12-19)14-27-22(26)18-10-5-9-17(13-18)21-25-24-20(28-21)16-7-2-1-3-8-16/h1-13H,14H2
InChIKeyOXDUFBHUKXBOQN-UHFFFAOYSA-N
XLogP4.90
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-benzoylphenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
CID 2301804
(4-bromophenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
CID 2213747
phenacyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
CID 7302224
(2-chlorophenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
CID 7302228
3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 174723007
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-bromobenzoate
CID 2642860
[(2S)-1-oxo-1-phenylbutan-2-yl] 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
CID 9172253
[(1R)-2-ethoxy-2-oxo-1-phenylethyl] 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
CID 27276566
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(carbamoylamino)benzoate
CID 26178971
(3-fluorophenyl)methyl 1,3-benzothiazole-6-carboxylate
CID 18080757
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
CID 19616438
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-pyrrol-1-ylbenzoate
CID 47009513

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate?
The IUPAC name of (3-fluorophenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate (CID 2304267) is (3-fluorophenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate.
What is the SMILES notation for (3-fluorophenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate?
The canonical SMILES for (3-fluorophenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate is O=C(OCc1cccc(F)c1)c1cccc(-c2nnc(-c3ccccc3)o2)c1.
What is the InChIKey of (3-fluorophenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate?
The InChIKey is OXDUFBHUKXBOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN2O3/c23-19-11-4-6-15(12-19)14-27-22(26)18-10-5-9-17(13-18)21-25-24-20(28-21)16-7-2-1-3-8-16/h1-13H,14H2.
What are the key properties of (3-fluorophenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate?
(3-fluorophenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate has a molecular weight of 374.37 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate is sourced from PubChem (CID 2304267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).