2-phenyl-3H-1,3-benzoxazol-2-ol

C13H11NO2 — CID 70143619

IUPAC2-phenyl-3H-1,3-benzoxazol-2-ol
SMILESOC1(c2ccccc2)Nc2ccccc2O1
InChIInChI=1S/C13H11NO2/c15-13(10-6-2-1-3-7-10)14-11-8-4-5-9-12(11)16-13/h1-9,14-15H
InChIKeyMRIKBJRSFIZURZ-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.29
Rot. Bonds1

About 2-phenyl-3H-1,3-benzoxazol-2-ol

2-phenyl-3H-1,3-benzoxazol-2-ol (PubChem CID 70143619) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-phenyl-3H-1,3-benzoxazol-2-ol.

Molecular Properties

Compound Name2-phenyl-3H-1,3-benzoxazol-2-ol
PubChem CID70143619
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name2-phenyl-3H-1,3-benzoxazol-2-ol
SMILESOC1(c2ccccc2)Nc2ccccc2O1
InChIInChI=1S/C13H11NO2/c15-13(10-6-2-1-3-7-10)14-11-8-4-5-9-12(11)16-13/h1-9,14-15H
InChIKeyMRIKBJRSFIZURZ-UHFFFAOYSA-N
XLogP2.29
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3H-1,3-benzoxazol-2-ol?
The IUPAC name of 2-phenyl-3H-1,3-benzoxazol-2-ol (CID 70143619) is 2-phenyl-3H-1,3-benzoxazol-2-ol.
What is the SMILES notation for 2-phenyl-3H-1,3-benzoxazol-2-ol?
The canonical SMILES for 2-phenyl-3H-1,3-benzoxazol-2-ol is OC1(c2ccccc2)Nc2ccccc2O1.
What is the InChIKey of 2-phenyl-3H-1,3-benzoxazol-2-ol?
The InChIKey is MRIKBJRSFIZURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c15-13(10-6-2-1-3-7-10)14-11-8-4-5-9-12(11)16-13/h1-9,14-15H.
What are the key properties of 2-phenyl-3H-1,3-benzoxazol-2-ol?
2-phenyl-3H-1,3-benzoxazol-2-ol has a molecular weight of 213.24 g/mol, XLogP of 2.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3H-1,3-benzoxazol-2-ol is sourced from PubChem (CID 70143619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).