2-[7-benzyl-4-(3-pyridin-2-ylphenyl)-1,3-benzoxazol-2-yl]phenol

C31H22N2O2 — CID 164742910

IUPAC2-[7-benzyl-4-(3-pyridin-2-ylphenyl)-1,3-benzoxazol-2-yl]phenol
SMILESOc1ccccc1-c1nc2c(-c3cccc(-c4ccccn4)c3)ccc(Cc3ccccc3)c2o1
InChIInChI=1S/C31H22N2O2/c34-28-15-5-4-13-26(28)31-33-29-25(22-11-8-12-23(20-22)27-14-6-7-18-32-27)17-16-24(30(29)35-31)19-21-9-2-1-3-10-21/h1-18,20,34H,19H2
InChIKeyJKAJIAYPKIMDMZ-UHFFFAOYSA-N
MW454.53 g/mol
LogP7.52
Rot. Bonds5

About 2-[7-benzyl-4-(3-pyridin-2-ylphenyl)-1,3-benzoxazol-2-yl]phenol

2-[7-benzyl-4-(3-pyridin-2-ylphenyl)-1,3-benzoxazol-2-yl]phenol (PubChem CID 164742910) has the molecular formula C31H22N2O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is 2-[7-benzyl-4-(3-pyridin-2-ylphenyl)-1,3-benzoxazol-2-yl]phenol.

Molecular Properties

Compound Name2-[7-benzyl-4-(3-pyridin-2-ylphenyl)-1,3-benzoxazol-2-yl]phenol
PubChem CID164742910
Molecular FormulaC31H22N2O2
Molecular Weight454.53 g/mol
Exact Mass454.17
IUPAC Name2-[7-benzyl-4-(3-pyridin-2-ylphenyl)-1,3-benzoxazol-2-yl]phenol
SMILESOc1ccccc1-c1nc2c(-c3cccc(-c4ccccn4)c3)ccc(Cc3ccccc3)c2o1
InChIInChI=1S/C31H22N2O2/c34-28-15-5-4-13-26(28)31-33-29-25(22-11-8-12-23(20-22)27-14-6-7-18-32-27)17-16-24(30(29)35-31)19-21-9-2-1-3-10-21/h1-18,20,34H,19H2
InChIKeyJKAJIAYPKIMDMZ-UHFFFAOYSA-N
XLogP7.52
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.53
LogP ≤ 57.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-6-[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenol
CID 164742350
2-[6-(3-benzyl-5-pyridin-2-ylphenyl)-2-pyridinyl]phenol
CID 164743046
2-[5-benzyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]-4-phenylphenol;platinum
CID 164742542
2-[4-[3-(2-phenylpropan-2-yl)-5-pyridin-2-ylphenyl]-1,3-benzoxazol-2-yl]phenol
CID 164742615
2-[3-(2-phenylphenyl)phenyl]pyridine
CID 59403973
2-[6-(3-hydroxyphenyl)-4-pyridin-2-yl-2-pyridinyl]phenol
CID 137091036
2-[6-benzyl-4-[3-(6-tert-butylquinolin-8-yl)phenyl]-1,3-benzoxazol-2-yl]phenol
CID 177110020
3-(1-phenylethyl)-2-[4-(3-pyridin-2-ylphenyl)-1,3-benzoxazol-2-yl]phenol
CID 164743024
3-benzyl-2-[4-(3-pyridin-2-ylbenzene-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;platinum
CID 164742887
2-[3-methyl-7-(3-pyridin-2-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol
CID 140865477
2-[4-[2-(1-phenylethyl)-5-pyridin-2-ylphenyl]-1,3-benzoxazol-2-yl]phenol
CID 164743200
2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine
CID 102128660

Frequently Asked Questions

What is the IUPAC name of 2-[7-benzyl-4-(3-pyridin-2-ylphenyl)-1,3-benzoxazol-2-yl]phenol?
The IUPAC name of 2-[7-benzyl-4-(3-pyridin-2-ylphenyl)-1,3-benzoxazol-2-yl]phenol (CID 164742910) is 2-[7-benzyl-4-(3-pyridin-2-ylphenyl)-1,3-benzoxazol-2-yl]phenol.
What is the SMILES notation for 2-[7-benzyl-4-(3-pyridin-2-ylphenyl)-1,3-benzoxazol-2-yl]phenol?
The canonical SMILES for 2-[7-benzyl-4-(3-pyridin-2-ylphenyl)-1,3-benzoxazol-2-yl]phenol is Oc1ccccc1-c1nc2c(-c3cccc(-c4ccccn4)c3)ccc(Cc3ccccc3)c2o1.
What is the InChIKey of 2-[7-benzyl-4-(3-pyridin-2-ylphenyl)-1,3-benzoxazol-2-yl]phenol?
The InChIKey is JKAJIAYPKIMDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N2O2/c34-28-15-5-4-13-26(28)31-33-29-25(22-11-8-12-23(20-22)27-14-6-7-18-32-27)17-16-24(30(29)35-31)19-21-9-2-1-3-10-21/h1-18,20,34H,19H2.
What are the key properties of 2-[7-benzyl-4-(3-pyridin-2-ylphenyl)-1,3-benzoxazol-2-yl]phenol?
2-[7-benzyl-4-(3-pyridin-2-ylphenyl)-1,3-benzoxazol-2-yl]phenol has a molecular weight of 454.53 g/mol, XLogP of 7.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-benzyl-4-(3-pyridin-2-ylphenyl)-1,3-benzoxazol-2-yl]phenol is sourced from PubChem (CID 164742910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).