4-(6-phenyl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-2-yl)phenol

C20H12N2O3 — CID 143547585

IUPAC4-(6-phenyl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-2-yl)phenol
SMILESOc1ccc(-c2nc3cc4nc(-c5ccccc5)oc4cc3o2)cc1
InChIInChI=1S/C20H12N2O3/c23-14-8-6-13(7-9-14)20-22-16-10-15-17(11-18(16)25-20)24-19(21-15)12-4-2-1-3-5-12/h1-11,23H
InChIKeyVZYKDCNCROWJKF-UHFFFAOYSA-N
MW328.33 g/mol
LogP5.01
Rot. Bonds2

About 4-(6-phenyl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-2-yl)phenol

4-(6-phenyl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-2-yl)phenol (PubChem CID 143547585) has the molecular formula C20H12N2O3 and a molecular weight of 328.33 g/mol. Its IUPAC name is 4-(6-phenyl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-2-yl)phenol.

Molecular Properties

Compound Name4-(6-phenyl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-2-yl)phenol
PubChem CID143547585
Molecular FormulaC20H12N2O3
Molecular Weight328.33 g/mol
Exact Mass328.08
IUPAC Name4-(6-phenyl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-2-yl)phenol
SMILESOc1ccc(-c2nc3cc4nc(-c5ccccc5)oc4cc3o2)cc1
InChIInChI=1S/C20H12N2O3/c23-14-8-6-13(7-9-14)20-22-16-10-15-17(11-18(16)25-20)24-19(21-15)12-4-2-1-3-5-12/h1-11,23H
InChIKeyVZYKDCNCROWJKF-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

6-bromo-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol
CID 135830954
2-(4-hydroxyphenyl)-1,3-benzoxazole-5-carboxylic acid
CID 136693571
carbonyl difluoride;2-phenyl-1,3-benzoxazole
CID 158063385
3,5-bis(1,3-benzoxazol-2-yl)phenol
CID 17341213
2-(4-fluorophenyl)-1,3-benzoxazol-5-ol
CID 3625866
2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-methyl-1,3-benzoxazole;methanamine;6-methyl-2-phenyl-1,3-benzoxazole;2-(4-methylphenyl)-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
CID 162036197
4-[2-(3-fluorophenyl)-1,3-benzoxazol-6-yl]phenol
CID 155757362
4-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 136658114
5-methyl-2-phenyl-1,3-benzoxazol-6-amine
CID 155036238
6-[4-(4-bromophenyl)phenyl]-2-phenyl-1,3-benzoxazole
CID 170716750
4-(5-phenyl-1,3-benzoxazol-2-yl)aniline
CID 3933123
2-(3,5-diphenylphenyl)-1,3-benzoxazole
CID 134237405

Frequently Asked Questions

What is the IUPAC name of 4-(6-phenyl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-2-yl)phenol?
The IUPAC name of 4-(6-phenyl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-2-yl)phenol (CID 143547585) is 4-(6-phenyl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-2-yl)phenol.
What is the SMILES notation for 4-(6-phenyl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-2-yl)phenol?
The canonical SMILES for 4-(6-phenyl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-2-yl)phenol is Oc1ccc(-c2nc3cc4nc(-c5ccccc5)oc4cc3o2)cc1.
What is the InChIKey of 4-(6-phenyl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-2-yl)phenol?
The InChIKey is VZYKDCNCROWJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N2O3/c23-14-8-6-13(7-9-14)20-22-16-10-15-17(11-18(16)25-20)24-19(21-15)12-4-2-1-3-5-12/h1-11,23H.
What are the key properties of 4-(6-phenyl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-2-yl)phenol?
4-(6-phenyl-[1,3]oxazolo[4,5-f][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 4-(6-phenyl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-2-yl)phenol is sourced from PubChem (CID 143547585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).