2-bromo-6-methoxy-4-[(5R)-3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol

C15H13BrN2O3 — CID 2351182

IUPAC2-bromo-6-methoxy-4-[(5R)-3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol
SMILESCOc1cc([C@@H]2N=C(c3ccccc3)NO2)cc(Br)c1O
InChIInChI=1S/C15H13BrN2O3/c1-20-12-8-10(7-11(16)13(12)19)15-17-14(18-21-15)9-5-3-2-4-6-9/h2-8,15,19H,1H3,(H,17,18)/t15-/m1/s1
InChIKeyNUTIQRPHTCJYGI-OAHLLOKOSA-N
MW349.18 g/mol
LogP3.14
Rot. Bonds3

About 2-bromo-6-methoxy-4-[(5R)-3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol

2-bromo-6-methoxy-4-[(5R)-3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 2351182) has the molecular formula C15H13BrN2O3 and a molecular weight of 349.18 g/mol. Its IUPAC name is 2-bromo-6-methoxy-4-[(5R)-3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-bromo-6-methoxy-4-[(5R)-3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol
PubChem CID2351182
Molecular FormulaC15H13BrN2O3
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC Name2-bromo-6-methoxy-4-[(5R)-3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol
SMILESCOc1cc([C@@H]2N=C(c3ccccc3)NO2)cc(Br)c1O
InChIInChI=1S/C15H13BrN2O3/c1-20-12-8-10(7-11(16)13(12)19)15-17-14(18-21-15)9-5-3-2-4-6-9/h2-8,15,19H,1H3,(H,17,18)/t15-/m1/s1
InChIKeyNUTIQRPHTCJYGI-OAHLLOKOSA-N
XLogP3.14
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methoxy-4-[(5R)-3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-bromo-6-methoxy-4-[(5R)-3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol (CID 2351182) is 2-bromo-6-methoxy-4-[(5R)-3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-bromo-6-methoxy-4-[(5R)-3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-bromo-6-methoxy-4-[(5R)-3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol is COc1cc([C@@H]2N=C(c3ccccc3)NO2)cc(Br)c1O.
What is the InChIKey of 2-bromo-6-methoxy-4-[(5R)-3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is NUTIQRPHTCJYGI-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H13BrN2O3/c1-20-12-8-10(7-11(16)13(12)19)15-17-14(18-21-15)9-5-3-2-4-6-9/h2-8,15,19H,1H3,(H,17,18)/t15-/m1/s1.
What are the key properties of 2-bromo-6-methoxy-4-[(5R)-3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol?
2-bromo-6-methoxy-4-[(5R)-3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 349.18 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methoxy-4-[(5R)-3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 2351182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).