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

C32H24N2O2 — CID 164743024

IUPAC3-(1-phenylethyl)-2-[4-(3-pyridin-2-ylphenyl)-1,3-benzoxazol-2-yl]phenol
SMILESCC(c1ccccc1)c1cccc(O)c1-c1nc2c(-c3cccc(-c4ccccn4)c3)cccc2o1
InChIInChI=1S/C32H24N2O2/c1-21(22-10-3-2-4-11-22)25-14-8-17-28(35)30(25)32-34-31-26(15-9-18-29(31)36-32)23-12-7-13-24(20-23)27-16-5-6-19-33-27/h2-21,35H,1H3
InChIKeyOQFSOURVVKEIMN-UHFFFAOYSA-N
MW468.56 g/mol
LogP8.08
Rot. Bonds5

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

3-(1-phenylethyl)-2-[4-(3-pyridin-2-ylphenyl)-1,3-benzoxazol-2-yl]phenol (PubChem CID 164743024) has the molecular formula C32H24N2O2 and a molecular weight of 468.56 g/mol. Its IUPAC name is 3-(1-phenylethyl)-2-[4-(3-pyridin-2-ylphenyl)-1,3-benzoxazol-2-yl]phenol.

Molecular Properties

Compound Name3-(1-phenylethyl)-2-[4-(3-pyridin-2-ylphenyl)-1,3-benzoxazol-2-yl]phenol
PubChem CID164743024
Molecular FormulaC32H24N2O2
Molecular Weight468.56 g/mol
Exact Mass468.18
IUPAC Name3-(1-phenylethyl)-2-[4-(3-pyridin-2-ylphenyl)-1,3-benzoxazol-2-yl]phenol
SMILESCC(c1ccccc1)c1cccc(O)c1-c1nc2c(-c3cccc(-c4ccccn4)c3)cccc2o1
InChIInChI=1S/C32H24N2O2/c1-21(22-10-3-2-4-11-22)25-14-8-17-28(35)30(25)32-34-31-26(15-9-18-29(31)36-32)23-12-7-13-24(20-23)27-16-5-6-19-33-27/h2-21,35H,1H3
InChIKeyOQFSOURVVKEIMN-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-ylphenyl]-1,3-benzoxazol-2-yl]phenol
CID 164743200
2-[4-[3-[3-(1-phenylethyl)-2-pyridinyl]phenyl]-1,3-benzoxazol-2-yl]phenol
CID 164742086
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-[4-[2-(1-phenylethyl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum
CID 164743199
2-[4-[3-(2-phenylpropan-2-yl)-5-pyridin-2-ylphenyl]-1,3-benzoxazol-2-yl]phenol
CID 164742615
2-[6-(1-phenylethyl)-4-(3-pyridin-2-ylphenyl)-1,3-benzothiazol-2-yl]phenol
CID 164743250
2,4-ditert-butyl-6-[4-[3-phenyl-5-[4-(1-phenylethyl)-2-pyridinyl]phenyl]-1,3-benzoxazol-2-yl]phenol
CID 164742318
2-[4-[3-[4-(1-phenylethyl)-2-pyridinyl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum
CID 164742269
2-[7-benzyl-4-(3-pyridin-2-ylphenyl)-1,3-benzoxazol-2-yl]phenol
CID 164742910
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-[3-(2-phenylphenyl)phenyl]pyridine
CID 59403973
2-[1-methyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]-3-(1-phenylethyl)phenol;platinum
CID 164742518

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylethyl)-2-[4-(3-pyridin-2-ylphenyl)-1,3-benzoxazol-2-yl]phenol?
The IUPAC name of 3-(1-phenylethyl)-2-[4-(3-pyridin-2-ylphenyl)-1,3-benzoxazol-2-yl]phenol (CID 164743024) is 3-(1-phenylethyl)-2-[4-(3-pyridin-2-ylphenyl)-1,3-benzoxazol-2-yl]phenol.
What is the SMILES notation for 3-(1-phenylethyl)-2-[4-(3-pyridin-2-ylphenyl)-1,3-benzoxazol-2-yl]phenol?
The canonical SMILES for 3-(1-phenylethyl)-2-[4-(3-pyridin-2-ylphenyl)-1,3-benzoxazol-2-yl]phenol is CC(c1ccccc1)c1cccc(O)c1-c1nc2c(-c3cccc(-c4ccccn4)c3)cccc2o1.
What is the InChIKey of 3-(1-phenylethyl)-2-[4-(3-pyridin-2-ylphenyl)-1,3-benzoxazol-2-yl]phenol?
The InChIKey is OQFSOURVVKEIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N2O2/c1-21(22-10-3-2-4-11-22)25-14-8-17-28(35)30(25)32-34-31-26(15-9-18-29(31)36-32)23-12-7-13-24(20-23)27-16-5-6-19-33-27/h2-21,35H,1H3.
What are the key properties of 3-(1-phenylethyl)-2-[4-(3-pyridin-2-ylphenyl)-1,3-benzoxazol-2-yl]phenol?
3-(1-phenylethyl)-2-[4-(3-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 3-(1-phenylethyl)-2-[4-(3-pyridin-2-ylphenyl)-1,3-benzoxazol-2-yl]phenol is sourced from PubChem (CID 164743024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).