2-[4-[2-(1-phenylethyl)-5-pyridin-2-ylphenyl]-1,3-benzoxazol-2-yl]phenol

C32H24N2O2 — CID 164743200

IUPAC2-[4-[2-(1-phenylethyl)-5-pyridin-2-ylphenyl]-1,3-benzoxazol-2-yl]phenol
SMILESCC(c1ccccc1)c1ccc(-c2ccccn2)cc1-c1cccc2oc(-c3ccccc3O)nc12
InChIInChI=1S/C32H24N2O2/c1-21(22-10-3-2-4-11-22)24-18-17-23(28-14-7-8-19-33-28)20-27(24)25-13-9-16-30-31(25)34-32(36-30)26-12-5-6-15-29(26)35/h2-21,35H,1H3
InChIKeyHXCVIOFVKQOOKH-UHFFFAOYSA-N
MW468.56 g/mol
LogP8.08
Rot. Bonds5

About 2-[4-[2-(1-phenylethyl)-5-pyridin-2-ylphenyl]-1,3-benzoxazol-2-yl]phenol

2-[4-[2-(1-phenylethyl)-5-pyridin-2-ylphenyl]-1,3-benzoxazol-2-yl]phenol (PubChem CID 164743200) has the molecular formula C32H24N2O2 and a molecular weight of 468.56 g/mol. Its IUPAC name is 2-[4-[2-(1-phenylethyl)-5-pyridin-2-ylphenyl]-1,3-benzoxazol-2-yl]phenol.

Molecular Properties

Compound Name2-[4-[2-(1-phenylethyl)-5-pyridin-2-ylphenyl]-1,3-benzoxazol-2-yl]phenol
PubChem CID164743200
Molecular FormulaC32H24N2O2
Molecular Weight468.56 g/mol
Exact Mass468.18
IUPAC Name2-[4-[2-(1-phenylethyl)-5-pyridin-2-ylphenyl]-1,3-benzoxazol-2-yl]phenol
SMILESCC(c1ccccc1)c1ccc(-c2ccccn2)cc1-c1cccc2oc(-c3ccccc3O)nc12
InChIInChI=1S/C32H24N2O2/c1-21(22-10-3-2-4-11-22)24-18-17-23(28-14-7-8-19-33-28)20-27(24)25-13-9-16-30-31(25)34-32(36-30)26-12-5-6-15-29(26)35/h2-21,35H,1H3
InChIKeyHXCVIOFVKQOOKH-UHFFFAOYSA-N
XLogP8.08
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.56
LogP ≤ 58.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(1-phenylethyl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum
CID 164743199
3-(1-phenylethyl)-2-[4-(3-pyridin-2-ylphenyl)-1,3-benzoxazol-2-yl]phenol
CID 164743024
2-[4-[3-[3-(1-phenylethyl)-2-pyridinyl]phenyl]-1,3-benzoxazol-2-yl]phenol
CID 164742086
2-[4-[3-(2-phenylpropan-2-yl)-5-pyridin-2-ylphenyl]-1,3-benzoxazol-2-yl]phenol
CID 164742615
2-[4-[3-[4-(1-phenylethyl)-2-pyridinyl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum
CID 164742269
2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]-3-(1-phenylethyl)phenol;platinum
CID 164742819
2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]phenol
CID 135749803
2-[4-[3-(6-tert-butylquinolin-8-yl)-5-pyridin-2-ylbenzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum
CID 177110792
2-[2-[4-(2-hydroxyphenyl)-1,3-benzoxazol-2-yl]-1,3-benzoxazol-4-yl]phenol
CID 135975699
2-[6-(1-phenylethyl)-4-(3-pyridin-2-ylphenyl)-1,3-benzothiazol-2-yl]phenol
CID 164743250
2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]-4,6-bis(1-phenylethyl)phenol;platinum
CID 164743025
2,4-ditert-butyl-6-[4-[3-phenyl-5-[4-(1-phenylethyl)-2-pyridinyl]phenyl]-1,3-benzoxazol-2-yl]phenol
CID 164742318

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(1-phenylethyl)-5-pyridin-2-ylphenyl]-1,3-benzoxazol-2-yl]phenol?
The IUPAC name of 2-[4-[2-(1-phenylethyl)-5-pyridin-2-ylphenyl]-1,3-benzoxazol-2-yl]phenol (CID 164743200) is 2-[4-[2-(1-phenylethyl)-5-pyridin-2-ylphenyl]-1,3-benzoxazol-2-yl]phenol.
What is the SMILES notation for 2-[4-[2-(1-phenylethyl)-5-pyridin-2-ylphenyl]-1,3-benzoxazol-2-yl]phenol?
The canonical SMILES for 2-[4-[2-(1-phenylethyl)-5-pyridin-2-ylphenyl]-1,3-benzoxazol-2-yl]phenol is CC(c1ccccc1)c1ccc(-c2ccccn2)cc1-c1cccc2oc(-c3ccccc3O)nc12.
What is the InChIKey of 2-[4-[2-(1-phenylethyl)-5-pyridin-2-ylphenyl]-1,3-benzoxazol-2-yl]phenol?
The InChIKey is HXCVIOFVKQOOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N2O2/c1-21(22-10-3-2-4-11-22)24-18-17-23(28-14-7-8-19-33-28)20-27(24)25-13-9-16-30-31(25)34-32(36-30)26-12-5-6-15-29(26)35/h2-21,35H,1H3.
What are the key properties of 2-[4-[2-(1-phenylethyl)-5-pyridin-2-ylphenyl]-1,3-benzoxazol-2-yl]phenol?
2-[4-[2-(1-phenylethyl)-5-pyridin-2-ylphenyl]-1,3-benzoxazol-2-yl]phenol has a molecular weight of 468.56 g/mol, XLogP of 8.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(1-phenylethyl)-5-pyridin-2-ylphenyl]-1,3-benzoxazol-2-yl]phenol is sourced from PubChem (CID 164743200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).