4-bromo-2-[3-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol

C14H10BrClN2O2 — CID 4883369

IUPAC4-bromo-2-[3-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccc(Br)cc1C1N=C(c2ccccc2Cl)NO1
InChIInChI=1S/C14H10BrClN2O2/c15-8-5-6-12(19)10(7-8)14-17-13(18-20-14)9-3-1-2-4-11(9)16/h1-7,14,19H,(H,17,18)
InChIKeyZTSJBHQGMMCOMO-UHFFFAOYSA-N
MW353.60 g/mol
LogP3.79
Rot. Bonds2

About 4-bromo-2-[3-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol

4-bromo-2-[3-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 4883369) has the molecular formula C14H10BrClN2O2 and a molecular weight of 353.60 g/mol. Its IUPAC name is 4-bromo-2-[3-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name4-bromo-2-[3-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol
PubChem CID4883369
Molecular FormulaC14H10BrClN2O2
Molecular Weight353.60 g/mol
Exact Mass351.96
IUPAC Name4-bromo-2-[3-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccc(Br)cc1C1N=C(c2ccccc2Cl)NO1
InChIInChI=1S/C14H10BrClN2O2/c15-8-5-6-12(19)10(7-8)14-17-13(18-20-14)9-3-1-2-4-11(9)16/h1-7,14,19H,(H,17,18)
InChIKeyZTSJBHQGMMCOMO-UHFFFAOYSA-N
XLogP3.79
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.60
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[3-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 4-bromo-2-[3-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol (CID 4883369) is 4-bromo-2-[3-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 4-bromo-2-[3-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 4-bromo-2-[3-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol is Oc1ccc(Br)cc1C1N=C(c2ccccc2Cl)NO1.
What is the InChIKey of 4-bromo-2-[3-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is ZTSJBHQGMMCOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O2/c15-8-5-6-12(19)10(7-8)14-17-13(18-20-14)9-3-1-2-4-11(9)16/h1-7,14,19H,(H,17,18).
What are the key properties of 4-bromo-2-[3-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol?
4-bromo-2-[3-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 353.60 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[3-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 4883369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).