2,4-dibromo-6-[(5R)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol

C15H12Br2N2O2 — CID 7986775

IUPAC2,4-dibromo-6-[(5R)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1ccccc1C1=N[C@@H](c2cc(Br)cc(Br)c2O)ON1
InChIInChI=1S/C15H12Br2N2O2/c1-8-4-2-3-5-10(8)14-18-15(21-19-14)11-6-9(16)7-12(17)13(11)20/h2-7,15,20H,1H3,(H,18,19)/t15-/m1/s1
InChIKeyOORKAJARCFFTDB-OAHLLOKOSA-N
MW412.08 g/mol
LogP4.21
Rot. Bonds2

About 2,4-dibromo-6-[(5R)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol

2,4-dibromo-6-[(5R)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 7986775) has the molecular formula C15H12Br2N2O2 and a molecular weight of 412.08 g/mol. Its IUPAC name is 2,4-dibromo-6-[(5R)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[(5R)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol
PubChem CID7986775
Molecular FormulaC15H12Br2N2O2
Molecular Weight412.08 g/mol
Exact Mass409.93
IUPAC Name2,4-dibromo-6-[(5R)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1ccccc1C1=N[C@@H](c2cc(Br)cc(Br)c2O)ON1
InChIInChI=1S/C15H12Br2N2O2/c1-8-4-2-3-5-10(8)14-18-15(21-19-14)11-6-9(16)7-12(17)13(11)20/h2-7,15,20H,1H3,(H,18,19)/t15-/m1/s1
InChIKeyOORKAJARCFFTDB-OAHLLOKOSA-N
XLogP4.21
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.08
LogP ≤ 54.21
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 2,4-dibromo-6-[(5R)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2,4-dibromo-6-[(5R)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol (CID 7986775) is 2,4-dibromo-6-[(5R)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[(5R)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2,4-dibromo-6-[(5R)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol is Cc1ccccc1C1=N[C@@H](c2cc(Br)cc(Br)c2O)ON1.
What is the InChIKey of 2,4-dibromo-6-[(5R)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is OORKAJARCFFTDB-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H12Br2N2O2/c1-8-4-2-3-5-10(8)14-18-15(21-19-14)11-6-9(16)7-12(17)13(11)20/h2-7,15,20H,1H3,(H,18,19)/t15-/m1/s1.
What are the key properties of 2,4-dibromo-6-[(5R)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol?
2,4-dibromo-6-[(5R)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 412.08 g/mol, XLogP of 4.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-[(5R)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 7986775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).