[2-(1,3,4-oxadiazol-2-yl)phenyl] benzoate

C15H10N2O3 — CID 2764593

IUPAC[2-(1,3,4-oxadiazol-2-yl)phenyl] benzoate
SMILESO=C(Oc1ccccc1-c1nnco1)c1ccccc1
InChIInChI=1S/C15H10N2O3/c18-15(11-6-2-1-3-7-11)20-13-9-5-4-8-12(13)14-17-16-10-19-14/h1-10H
InChIKeyADKTYYDBRSFYJM-UHFFFAOYSA-N
MW266.26 g/mol
LogP2.96
Rot. Bonds3

About [2-(1,3,4-oxadiazol-2-yl)phenyl] benzoate

[2-(1,3,4-oxadiazol-2-yl)phenyl] benzoate (PubChem CID 2764593) has the molecular formula C15H10N2O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is [2-(1,3,4-oxadiazol-2-yl)phenyl] benzoate.

Molecular Properties

Compound Name[2-(1,3,4-oxadiazol-2-yl)phenyl] benzoate
PubChem CID2764593
Molecular FormulaC15H10N2O3
Molecular Weight266.26 g/mol
Exact Mass266.07
IUPAC Name[2-(1,3,4-oxadiazol-2-yl)phenyl] benzoate
SMILESO=C(Oc1ccccc1-c1nnco1)c1ccccc1
InChIInChI=1S/C15H10N2O3/c18-15(11-6-2-1-3-7-11)20-13-9-5-4-8-12(13)14-17-16-10-19-14/h1-10H
InChIKeyADKTYYDBRSFYJM-UHFFFAOYSA-N
XLogP2.96
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.96
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

Fenadiazole
CID 13883
2-(2-Methoxyphenyl)-5-phenyl-1,3,4-oxadiazole
CID 74643
2-[4-[(4-Fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazole
CID 2740991
2-(5-Phenyl-1,3,4-oxadiazol-2-yl)phenol
CID 300765
Methyl 2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl ether
CID 828055
2-[2-(Trifluoromethoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 2744762
Isopropyl {[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thio}acetate
CID 673462
2-[5-(Phenoxymethyl)-1,3,4-oxadiazol-2-yl]phenol
CID 712390
3-[5-(3-Bromo-phenyl)-[1,3,4]oxadiazol-2-yl]-chromen-2-one
CID 651604
2-(Benzylsulfanyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole
CID 811665
4-Fluorobenzoic acid 4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
CID 44460136
2-(4-Fluorophenyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole
CID 834024

Frequently Asked Questions

What is the IUPAC name of [2-(1,3,4-oxadiazol-2-yl)phenyl] benzoate?
The IUPAC name of [2-(1,3,4-oxadiazol-2-yl)phenyl] benzoate (CID 2764593) is [2-(1,3,4-oxadiazol-2-yl)phenyl] benzoate.
What is the SMILES notation for [2-(1,3,4-oxadiazol-2-yl)phenyl] benzoate?
The canonical SMILES for [2-(1,3,4-oxadiazol-2-yl)phenyl] benzoate is O=C(Oc1ccccc1-c1nnco1)c1ccccc1.
What is the InChIKey of [2-(1,3,4-oxadiazol-2-yl)phenyl] benzoate?
The InChIKey is ADKTYYDBRSFYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O3/c18-15(11-6-2-1-3-7-11)20-13-9-5-4-8-12(13)14-17-16-10-19-14/h1-10H.
What are the key properties of [2-(1,3,4-oxadiazol-2-yl)phenyl] benzoate?
[2-(1,3,4-oxadiazol-2-yl)phenyl] benzoate has a molecular weight of 266.26 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3,4-oxadiazol-2-yl)phenyl] benzoate is sourced from PubChem (CID 2764593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).