2-[2-[4-(2-hydroxyphenyl)-1,3-benzoxazol-2-yl]-1,3-benzoxazol-4-yl]phenol

C26H16N2O4 — CID 135975699

IUPAC2-[2-[4-(2-hydroxyphenyl)-1,3-benzoxazol-2-yl]-1,3-benzoxazol-4-yl]phenol
SMILESOc1ccccc1-c1cccc2oc(-c3nc4c(-c5ccccc5O)cccc4o3)nc12
InChIInChI=1S/C26H16N2O4/c29-19-11-3-1-7-15(19)17-9-5-13-21-23(17)27-25(31-21)26-28-24-18(10-6-14-22(24)32-26)16-8-2-4-12-20(16)30/h1-14,29-30H
InChIKeyJKMFVJCFPBPGOJ-UHFFFAOYSA-N
MW420.42 g/mol
LogP6.38
Rot. Bonds3

About 2-[2-[4-(2-hydroxyphenyl)-1,3-benzoxazol-2-yl]-1,3-benzoxazol-4-yl]phenol

2-[2-[4-(2-hydroxyphenyl)-1,3-benzoxazol-2-yl]-1,3-benzoxazol-4-yl]phenol (PubChem CID 135975699) has the molecular formula C26H16N2O4 and a molecular weight of 420.42 g/mol. Its IUPAC name is 2-[2-[4-(2-hydroxyphenyl)-1,3-benzoxazol-2-yl]-1,3-benzoxazol-4-yl]phenol.

Molecular Properties

Compound Name2-[2-[4-(2-hydroxyphenyl)-1,3-benzoxazol-2-yl]-1,3-benzoxazol-4-yl]phenol
PubChem CID135975699
Molecular FormulaC26H16N2O4
Molecular Weight420.42 g/mol
Exact Mass420.11
IUPAC Name2-[2-[4-(2-hydroxyphenyl)-1,3-benzoxazol-2-yl]-1,3-benzoxazol-4-yl]phenol
SMILESOc1ccccc1-c1cccc2oc(-c3nc4c(-c5ccccc5O)cccc4o3)nc12
InChIInChI=1S/C26H16N2O4/c29-19-11-3-1-7-15(19)17-9-5-13-21-23(17)27-25(31-21)26-28-24-18(10-6-14-22(24)32-26)16-8-2-4-12-20(16)30/h1-14,29-30H
InChIKeyJKMFVJCFPBPGOJ-UHFFFAOYSA-N
XLogP6.38
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.42
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]phenol
CID 135749803
2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylic acid
CID 135957253
2-[2-(2-aminophenyl)-1,3-benzoxazol-4-yl]aniline
CID 19876178
bis(2-(1,3-benzoxazol-2-yl)phenol);ytterbium
CID 157356181
bis(2-(1,3-benzoxazol-2-yl)phenol);oxovanadium
CID 162253412
bis(2-benzo[e][1,3]benzoxazol-2-ylphenol);palladium
CID 139246627
5-hydroxy-2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylic acid
CID 163113225
2-(2-hydroxyphenyl)-1,3-benzoxazin-4-one
CID 135685723
2-[2-(4-chlorophenyl)-1,3-benzoxazol-4-yl]aniline
CID 146670605
2-[4-[2-(1-phenylethyl)-5-pyridin-2-ylphenyl]-1,3-benzoxazol-2-yl]phenol
CID 164743200
2-[4-[3-tert-butyl-5-[6-[3-tert-butyl-5-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]benzene-6-id-1-yl]pyrimidin-4-yl]benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum
CID 176622936
5-hydroxy-2-naphthalen-1-yl-1,3-benzoxazole-4-carbaldehyde
CID 155511013

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-hydroxyphenyl)-1,3-benzoxazol-2-yl]-1,3-benzoxazol-4-yl]phenol?
The IUPAC name of 2-[2-[4-(2-hydroxyphenyl)-1,3-benzoxazol-2-yl]-1,3-benzoxazol-4-yl]phenol (CID 135975699) is 2-[2-[4-(2-hydroxyphenyl)-1,3-benzoxazol-2-yl]-1,3-benzoxazol-4-yl]phenol.
What is the SMILES notation for 2-[2-[4-(2-hydroxyphenyl)-1,3-benzoxazol-2-yl]-1,3-benzoxazol-4-yl]phenol?
The canonical SMILES for 2-[2-[4-(2-hydroxyphenyl)-1,3-benzoxazol-2-yl]-1,3-benzoxazol-4-yl]phenol is Oc1ccccc1-c1cccc2oc(-c3nc4c(-c5ccccc5O)cccc4o3)nc12.
What is the InChIKey of 2-[2-[4-(2-hydroxyphenyl)-1,3-benzoxazol-2-yl]-1,3-benzoxazol-4-yl]phenol?
The InChIKey is JKMFVJCFPBPGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N2O4/c29-19-11-3-1-7-15(19)17-9-5-13-21-23(17)27-25(31-21)26-28-24-18(10-6-14-22(24)32-26)16-8-2-4-12-20(16)30/h1-14,29-30H.
What are the key properties of 2-[2-[4-(2-hydroxyphenyl)-1,3-benzoxazol-2-yl]-1,3-benzoxazol-4-yl]phenol?
2-[2-[4-(2-hydroxyphenyl)-1,3-benzoxazol-2-yl]-1,3-benzoxazol-4-yl]phenol has a molecular weight of 420.42 g/mol, XLogP of 6.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-hydroxyphenyl)-1,3-benzoxazol-2-yl]-1,3-benzoxazol-4-yl]phenol is sourced from PubChem (CID 135975699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).