3-(1,3-benzoxazol-2-yl)naphthalen-2-ol

C17H11NO2 — CID 135838405

IUPAC3-(1,3-benzoxazol-2-yl)naphthalen-2-ol
SMILESOc1cc2ccccc2cc1-c1nc2ccccc2o1
InChIInChI=1S/C17H11NO2/c19-15-10-12-6-2-1-5-11(12)9-13(15)17-18-14-7-3-4-8-16(14)20-17/h1-10,19H
InChIKeyPHBZHIFCFRSMRY-UHFFFAOYSA-N
MW261.28 g/mol
LogP4.35
Rot. Bonds1

About 3-(1,3-benzoxazol-2-yl)naphthalen-2-ol

3-(1,3-benzoxazol-2-yl)naphthalen-2-ol (PubChem CID 135838405) has the molecular formula C17H11NO2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-yl)naphthalen-2-ol.

Molecular Properties

Compound Name3-(1,3-benzoxazol-2-yl)naphthalen-2-ol
PubChem CID135838405
Molecular FormulaC17H11NO2
Molecular Weight261.28 g/mol
Exact Mass261.08
IUPAC Name3-(1,3-benzoxazol-2-yl)naphthalen-2-ol
SMILESOc1cc2ccccc2cc1-c1nc2ccccc2o1
InChIInChI=1S/C17H11NO2/c19-15-10-12-6-2-1-5-11(12)9-13(15)17-18-14-7-3-4-8-16(14)20-17/h1-10,19H
InChIKeyPHBZHIFCFRSMRY-UHFFFAOYSA-N
XLogP4.35
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benzoxazole, 2-methyl-5-phenyl-
CID 112786
Fluorescent brightener 367
CID 78769
2-(2-Benzoxazolyl)phenol
CID 13269
2-(2'-Methylphenyl)benzoxazole
CID 154899
2-(4-Biphenyl)-6-phenylbenzoxazole
CID 86930
2-(5-Hydroxy-naphthalen-1-YL)-1,3-benzooxazol-6-OL
CID 4369550
Naphth[1,2-d]oxazole, 2-methyl-
CID 66555
4-(1,3-Benzoxazol-2-yl)-2,6-dimethylphenol
CID 135566325
2-(6-Hydroxy-naphthalen-1-yl)-benzooxazol-5-ol
CID 9993627
2-(6-Hydroxynaphthalen-1-yl)benzo(d)oxazol-6-ol
CID 10062042
2-(4-Hydroxy-phenyl)-7-phenyl-benzooxazol-5-ol
CID 135409756
2-(6-Hydroxynaphthalen-2-yl)benzo[d]oxazol-6-ol
CID 135449109

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-2-yl)naphthalen-2-ol?
The IUPAC name of 3-(1,3-benzoxazol-2-yl)naphthalen-2-ol (CID 135838405) is 3-(1,3-benzoxazol-2-yl)naphthalen-2-ol.
What is the SMILES notation for 3-(1,3-benzoxazol-2-yl)naphthalen-2-ol?
The canonical SMILES for 3-(1,3-benzoxazol-2-yl)naphthalen-2-ol is Oc1cc2ccccc2cc1-c1nc2ccccc2o1.
What is the InChIKey of 3-(1,3-benzoxazol-2-yl)naphthalen-2-ol?
The InChIKey is PHBZHIFCFRSMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO2/c19-15-10-12-6-2-1-5-11(12)9-13(15)17-18-14-7-3-4-8-16(14)20-17/h1-10,19H.
What are the key properties of 3-(1,3-benzoxazol-2-yl)naphthalen-2-ol?
3-(1,3-benzoxazol-2-yl)naphthalen-2-ol has a molecular weight of 261.28 g/mol, XLogP of 4.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-2-yl)naphthalen-2-ol is sourced from PubChem (CID 135838405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).