3,5-bis(1,3-benzoxazol-2-yl)phenol

C20H12N2O3 — CID 17341213

IUPAC3,5-bis(1,3-benzoxazol-2-yl)phenol
SMILESOc1cc(-c2nc3ccccc3o2)cc(-c2nc3ccccc3o2)c1
InChIInChI=1S/C20H12N2O3/c23-14-10-12(19-21-15-5-1-3-7-17(15)24-19)9-13(11-14)20-22-16-6-2-4-8-18(16)25-20/h1-11,23H
InChIKeyRJZREZCQLWCWCG-UHFFFAOYSA-N
MW328.33 g/mol
LogP5.01
Rot. Bonds2

About 3,5-bis(1,3-benzoxazol-2-yl)phenol

3,5-bis(1,3-benzoxazol-2-yl)phenol (PubChem CID 17341213) has the molecular formula C20H12N2O3 and a molecular weight of 328.33 g/mol. Its IUPAC name is 3,5-bis(1,3-benzoxazol-2-yl)phenol.

Molecular Properties

Compound Name3,5-bis(1,3-benzoxazol-2-yl)phenol
PubChem CID17341213
Molecular FormulaC20H12N2O3
Molecular Weight328.33 g/mol
Exact Mass328.08
IUPAC Name3,5-bis(1,3-benzoxazol-2-yl)phenol
SMILESOc1cc(-c2nc3ccccc3o2)cc(-c2nc3ccccc3o2)c1
InChIInChI=1S/C20H12N2O3/c23-14-10-12(19-21-15-5-1-3-7-17(15)24-19)9-13(11-14)20-22-16-6-2-4-8-18(16)25-20/h1-11,23H
InChIKeyRJZREZCQLWCWCG-UHFFFAOYSA-N
XLogP5.01
TPSA72.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.33
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-diphenylphenyl)-1,3-benzoxazole
CID 134237405
2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 762888
2-[3-(1,3-benzoxazol-2-yl)-5-(3,5-dibromophenyl)phenyl]-1,3-benzoxazole
CID 129148229
4-(1,3-benzoxazol-2-yl)-2,6-bis(hydroxymethyl)phenol
CID 135784125
2-(3,5-dimethylphenyl)-1,3-benzoxazole
CID 23722944
carbonyl difluoride;2-phenyl-1,3-benzoxazole
CID 158063385
2-(3,4,5-trichlorophenyl)-1,3-benzoxazole
CID 50849649
2-[3,5-bis[3,5-di(quinolin-3-yl)phenyl]phenyl]-1,3-benzoxazole
CID 58479999
2-[3,5-bis[2,6-di(quinolin-3-yl)-4-pyridinyl]phenyl]-1,3-benzoxazole
CID 71104968
2-pyridin-4-yl-1,3-benzoxazole
CID 16804
6-(1,3-benzoxazol-2-yl)pyridin-3-ol
CID 136776961
2-[3-(3-chlorophenyl)phenyl]-1,3-benzoxazole
CID 166583056

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(1,3-benzoxazol-2-yl)phenol?
The IUPAC name of 3,5-bis(1,3-benzoxazol-2-yl)phenol (CID 17341213) is 3,5-bis(1,3-benzoxazol-2-yl)phenol.
What is the SMILES notation for 3,5-bis(1,3-benzoxazol-2-yl)phenol?
The canonical SMILES for 3,5-bis(1,3-benzoxazol-2-yl)phenol is Oc1cc(-c2nc3ccccc3o2)cc(-c2nc3ccccc3o2)c1.
What is the InChIKey of 3,5-bis(1,3-benzoxazol-2-yl)phenol?
The InChIKey is RJZREZCQLWCWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N2O3/c23-14-10-12(19-21-15-5-1-3-7-17(15)24-19)9-13(11-14)20-22-16-6-2-4-8-18(16)25-20/h1-11,23H.
What are the key properties of 3,5-bis(1,3-benzoxazol-2-yl)phenol?
3,5-bis(1,3-benzoxazol-2-yl)phenol has a molecular weight of 328.33 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(1,3-benzoxazol-2-yl)phenol is sourced from PubChem (CID 17341213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).