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

C22H15ClN2O3 — CID 7302228

IUPAC(2-chlorophenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
SMILESO=C(OCc1ccccc1Cl)c1cccc(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C22H15ClN2O3/c23-19-12-5-4-9-18(19)14-27-22(26)17-11-6-10-16(13-17)21-25-24-20(28-21)15-7-2-1-3-8-15/h1-13H,14H2
InChIKeyLUSAPQBUSRWSHJ-UHFFFAOYSA-N
MW390.83 g/mol
LogP5.41
Rot. Bonds5

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

(2-chlorophenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate (PubChem CID 7302228) has the molecular formula C22H15ClN2O3 and a molecular weight of 390.83 g/mol. Its IUPAC name is (2-chlorophenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
PubChem CID7302228
Molecular FormulaC22H15ClN2O3
Molecular Weight390.83 g/mol
Exact Mass390.08
IUPAC Name(2-chlorophenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
SMILESO=C(OCc1ccccc1Cl)c1cccc(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C22H15ClN2O3/c23-19-12-5-4-9-18(19)14-27-22(26)17-11-6-10-16(13-17)21-25-24-20(28-21)15-7-2-1-3-8-15/h1-13H,14H2
InChIKeyLUSAPQBUSRWSHJ-UHFFFAOYSA-N
XLogP5.41
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.83
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

phenacyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
CID 7302224
(4-bromophenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
CID 2213747
(3-benzoylphenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
CID 2301804
(3-fluorophenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
CID 2304267
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
1H-indol-4-ylmethyl 3-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate
CID 75381035
[(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
[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 (2-chlorophenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate?
The IUPAC name of (2-chlorophenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate (CID 7302228) is (2-chlorophenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate.
What is the SMILES notation for (2-chlorophenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate?
The canonical SMILES for (2-chlorophenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate is O=C(OCc1ccccc1Cl)c1cccc(-c2nnc(-c3ccccc3)o2)c1.
What is the InChIKey of (2-chlorophenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate?
The InChIKey is LUSAPQBUSRWSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2O3/c23-19-12-5-4-9-18(19)14-27-22(26)17-11-6-10-16(13-17)21-25-24-20(28-21)15-7-2-1-3-8-15/h1-13H,14H2.
What are the key properties of (2-chlorophenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate?
(2-chlorophenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate has a molecular weight of 390.83 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate is sourced from PubChem (CID 7302228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).