3-phenyl-1,2-benzoxazol-7-ol

C13H9NO2 — CID 105464793

IUPAC3-phenyl-1,2-benzoxazol-7-ol
SMILESOc1cccc2c(-c3ccccc3)noc12
InChIInChI=1S/C13H9NO2/c15-11-8-4-7-10-12(14-16-13(10)11)9-5-2-1-3-6-9/h1-8,15H
InChIKeyRVPAZGKWMCBGLC-UHFFFAOYSA-N
MW211.22 g/mol
LogP3.20
Rot. Bonds1

About 3-phenyl-1,2-benzoxazol-7-ol

3-phenyl-1,2-benzoxazol-7-ol (PubChem CID 105464793) has the molecular formula C13H9NO2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-phenyl-1,2-benzoxazol-7-ol.

Molecular Properties

Compound Name3-phenyl-1,2-benzoxazol-7-ol
PubChem CID105464793
Molecular FormulaC13H9NO2
Molecular Weight211.22 g/mol
Exact Mass211.06
IUPAC Name3-phenyl-1,2-benzoxazol-7-ol
SMILESOc1cccc2c(-c3ccccc3)noc12
InChIInChI=1S/C13H9NO2/c15-11-8-4-7-10-12(14-16-13(10)11)9-5-2-1-3-6-9/h1-8,15H
InChIKeyRVPAZGKWMCBGLC-UHFFFAOYSA-N
XLogP3.20
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-ethyl-3-phenyl-1,2-benzoxazole
CID 12562676
4-(7-amino-1,2-benzoxazol-3-yl)phenol
CID 136699603
7-hydroxy-1,2-benzoxazole-3-carboxylic acid
CID 84656727
methanamine;methane;3-phenyl-1,2-benzoxazole
CID 175235324
acetic acid;ethane;3-phenyl-1,2-benzoxazole
CID 143217944
7-[[bis(2-methylpropyl)amino]methyl]-3-phenyl-1,2-benzoxazol-6-ol
CID 136752928
3,10-diphenylnaphtho[2,1-g][1,2]benzoxazole
CID 169078132
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2-benzoxazole
CID 153493031
3-(7-hydroxy-1,2-benzoxazol-3-yl)propanoic acid
CID 84674857
2-[(7-hydroxy-1,2-benzoxazol-3-yl)oxy]acetic acid
CID 84676549
3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
CID 16788564
7-chloro-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidine
CID 53213185

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1,2-benzoxazol-7-ol?
The IUPAC name of 3-phenyl-1,2-benzoxazol-7-ol (CID 105464793) is 3-phenyl-1,2-benzoxazol-7-ol.
What is the SMILES notation for 3-phenyl-1,2-benzoxazol-7-ol?
The canonical SMILES for 3-phenyl-1,2-benzoxazol-7-ol is Oc1cccc2c(-c3ccccc3)noc12.
What is the InChIKey of 3-phenyl-1,2-benzoxazol-7-ol?
The InChIKey is RVPAZGKWMCBGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2/c15-11-8-4-7-10-12(14-16-13(10)11)9-5-2-1-3-6-9/h1-8,15H.
What are the key properties of 3-phenyl-1,2-benzoxazol-7-ol?
3-phenyl-1,2-benzoxazol-7-ol has a molecular weight of 211.22 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1,2-benzoxazol-7-ol is sourced from PubChem (CID 105464793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).