2-(4-hydroxyphenyl)-7-phenyl-1,3-benzoxazol-5-ol

C19H13NO3 — CID 135409756

IUPAC2-(4-hydroxyphenyl)-7-phenyl-1,3-benzoxazol-5-ol
SMILESOc1ccc(-c2nc3cc(O)cc(-c4ccccc4)c3o2)cc1
InChIInChI=1S/C19H13NO3/c21-14-8-6-13(7-9-14)19-20-17-11-15(22)10-16(18(17)23-19)12-4-2-1-3-5-12/h1-11,21-22H
InChIKeyOMOPCSHWHZVQPY-UHFFFAOYSA-N
MW303.32 g/mol
LogP4.57
Rot. Bonds2

About 2-(4-hydroxyphenyl)-7-phenyl-1,3-benzoxazol-5-ol

2-(4-hydroxyphenyl)-7-phenyl-1,3-benzoxazol-5-ol (PubChem CID 135409756) has the molecular formula C19H13NO3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-7-phenyl-1,3-benzoxazol-5-ol.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-7-phenyl-1,3-benzoxazol-5-ol
PubChem CID135409756
Molecular FormulaC19H13NO3
Molecular Weight303.32 g/mol
Exact Mass303.09
IUPAC Name2-(4-hydroxyphenyl)-7-phenyl-1,3-benzoxazol-5-ol
SMILESOc1ccc(-c2nc3cc(O)cc(-c4ccccc4)c3o2)cc1
InChIInChI=1S/C19H13NO3/c21-14-8-6-13(7-9-14)19-20-17-11-15(22)10-16(18(17)23-19)12-4-2-1-3-5-12/h1-11,21-22H
InChIKeyOMOPCSHWHZVQPY-UHFFFAOYSA-N
XLogP4.57
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-hydroxyphenyl)-7-phenyl-1,3-benzoxazol-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-7-phenyl-1,3-benzoxazol-5-ol?
The IUPAC name of 2-(4-hydroxyphenyl)-7-phenyl-1,3-benzoxazol-5-ol (CID 135409756) is 2-(4-hydroxyphenyl)-7-phenyl-1,3-benzoxazol-5-ol.
What is the SMILES notation for 2-(4-hydroxyphenyl)-7-phenyl-1,3-benzoxazol-5-ol?
The canonical SMILES for 2-(4-hydroxyphenyl)-7-phenyl-1,3-benzoxazol-5-ol is Oc1ccc(-c2nc3cc(O)cc(-c4ccccc4)c3o2)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-7-phenyl-1,3-benzoxazol-5-ol?
The InChIKey is OMOPCSHWHZVQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO3/c21-14-8-6-13(7-9-14)19-20-17-11-15(22)10-16(18(17)23-19)12-4-2-1-3-5-12/h1-11,21-22H.
What are the key properties of 2-(4-hydroxyphenyl)-7-phenyl-1,3-benzoxazol-5-ol?
2-(4-hydroxyphenyl)-7-phenyl-1,3-benzoxazol-5-ol has a molecular weight of 303.32 g/mol, XLogP of 4.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-7-phenyl-1,3-benzoxazol-5-ol is sourced from PubChem (CID 135409756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).