2-[4-[3-[3-(1-phenylethyl)-2-pyridinyl]phenyl]-1,3-benzoxazol-2-yl]phenol

C32H24N2O2 — CID 164742086

IUPAC2-[4-[3-[3-(1-phenylethyl)-2-pyridinyl]phenyl]-1,3-benzoxazol-2-yl]phenol
SMILESCC(c1ccccc1)c1cccnc1-c1cccc(-c2cccc3oc(-c4ccccc4O)nc23)c1
InChIInChI=1S/C32H24N2O2/c1-21(22-10-3-2-4-11-22)25-16-9-19-33-30(25)24-13-7-12-23(20-24)26-15-8-18-29-31(26)34-32(36-29)27-14-5-6-17-28(27)35/h2-21,35H,1H3
InChIKeyHOKBGSQLNSKIOG-UHFFFAOYSA-N
MW468.56 g/mol
LogP8.08
Rot. Bonds5

About 2-[4-[3-[3-(1-phenylethyl)-2-pyridinyl]phenyl]-1,3-benzoxazol-2-yl]phenol

2-[4-[3-[3-(1-phenylethyl)-2-pyridinyl]phenyl]-1,3-benzoxazol-2-yl]phenol (PubChem CID 164742086) has the molecular formula C32H24N2O2 and a molecular weight of 468.56 g/mol. Its IUPAC name is 2-[4-[3-[3-(1-phenylethyl)-2-pyridinyl]phenyl]-1,3-benzoxazol-2-yl]phenol.

Molecular Properties

Compound Name2-[4-[3-[3-(1-phenylethyl)-2-pyridinyl]phenyl]-1,3-benzoxazol-2-yl]phenol
PubChem CID164742086
Molecular FormulaC32H24N2O2
Molecular Weight468.56 g/mol
Exact Mass468.18
IUPAC Name2-[4-[3-[3-(1-phenylethyl)-2-pyridinyl]phenyl]-1,3-benzoxazol-2-yl]phenol
SMILESCC(c1ccccc1)c1cccnc1-c1cccc(-c2cccc3oc(-c4ccccc4O)nc23)c1
InChIInChI=1S/C32H24N2O2/c1-21(22-10-3-2-4-11-22)25-16-9-19-33-30(25)24-13-7-12-23(20-24)26-15-8-18-29-31(26)34-32(36-29)27-14-5-6-17-28(27)35/h2-21,35H,1H3
InChIKeyHOKBGSQLNSKIOG-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

Analyze 2-[4-[3-[3-(1-phenylethyl)-2-pyridinyl]phenyl]-1,3-benzoxazol-2-yl]phenol with MolForge

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Related Compounds

3-(1-phenylethyl)-2-[4-(3-pyridin-2-ylphenyl)-1,3-benzoxazol-2-yl]phenol
CID 164743024
2-[4-[2-(1-phenylethyl)-5-pyridin-2-ylphenyl]-1,3-benzoxazol-2-yl]phenol
CID 164743200
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-[4-[3-[4-(1-phenylethyl)-2-pyridinyl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum
CID 164742269
2-[4-[3-([1]benzofuro[2,3-f]quinolin-5-yl)phenyl]-6-propan-2-yl-1,3-benzoxazol-2-yl]phenol
CID 177110077
2,4-ditert-butyl-6-[4-[3-phenyl-5-[4-(1-phenylethyl)-2-pyridinyl]phenyl]-1,3-benzoxazol-2-yl]phenol
CID 164742318
2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]phenol
CID 135749803
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
4-cyclohexyl-2-[4-[3-cyclohexyl-5-[3-(2-phenylpropan-2-yl)-2-pyridinyl]phenyl]-1,3-benzoxazol-2-yl]phenol
CID 164743277
2-[6-benzyl-4-[3-(6-tert-butylquinolin-8-yl)phenyl]-1,3-benzoxazol-2-yl]phenol
CID 177110020
2-[4-[3-[6-[2,6-di(propan-2-yl)phenyl]quinolin-8-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum
CID 177110695

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[3-(1-phenylethyl)-2-pyridinyl]phenyl]-1,3-benzoxazol-2-yl]phenol?
The IUPAC name of 2-[4-[3-[3-(1-phenylethyl)-2-pyridinyl]phenyl]-1,3-benzoxazol-2-yl]phenol (CID 164742086) is 2-[4-[3-[3-(1-phenylethyl)-2-pyridinyl]phenyl]-1,3-benzoxazol-2-yl]phenol.
What is the SMILES notation for 2-[4-[3-[3-(1-phenylethyl)-2-pyridinyl]phenyl]-1,3-benzoxazol-2-yl]phenol?
The canonical SMILES for 2-[4-[3-[3-(1-phenylethyl)-2-pyridinyl]phenyl]-1,3-benzoxazol-2-yl]phenol is CC(c1ccccc1)c1cccnc1-c1cccc(-c2cccc3oc(-c4ccccc4O)nc23)c1.
What is the InChIKey of 2-[4-[3-[3-(1-phenylethyl)-2-pyridinyl]phenyl]-1,3-benzoxazol-2-yl]phenol?
The InChIKey is HOKBGSQLNSKIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N2O2/c1-21(22-10-3-2-4-11-22)25-16-9-19-33-30(25)24-13-7-12-23(20-24)26-15-8-18-29-31(26)34-32(36-29)27-14-5-6-17-28(27)35/h2-21,35H,1H3.
What are the key properties of 2-[4-[3-[3-(1-phenylethyl)-2-pyridinyl]phenyl]-1,3-benzoxazol-2-yl]phenol?
2-[4-[3-[3-(1-phenylethyl)-2-pyridinyl]phenyl]-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-[3-[3-(1-phenylethyl)-2-pyridinyl]phenyl]-1,3-benzoxazol-2-yl]phenol is sourced from PubChem (CID 164742086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).