2-(4-hydroxynaphthalen-1-yl)-1,3-benzoxazol-6-ol

C17H11NO3 — CID 135503567

IUPAC2-(4-hydroxynaphthalen-1-yl)-1,3-benzoxazol-6-ol
SMILESOc1ccc2nc(-c3ccc(O)c4ccccc34)oc2c1
InChIInChI=1S/C17H11NO3/c19-10-5-7-14-16(9-10)21-17(18-14)13-6-8-15(20)12-4-2-1-3-11(12)13/h1-9,19-20H
InChIKeyJOCGYNKOMBFRII-UHFFFAOYSA-N
MW277.28 g/mol
LogP4.06
Rot. Bonds1

About 2-(4-hydroxynaphthalen-1-yl)-1,3-benzoxazol-6-ol

2-(4-hydroxynaphthalen-1-yl)-1,3-benzoxazol-6-ol (PubChem CID 135503567) has the molecular formula C17H11NO3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-(4-hydroxynaphthalen-1-yl)-1,3-benzoxazol-6-ol.

Molecular Properties

Compound Name2-(4-hydroxynaphthalen-1-yl)-1,3-benzoxazol-6-ol
PubChem CID135503567
Molecular FormulaC17H11NO3
Molecular Weight277.28 g/mol
Exact Mass277.07
IUPAC Name2-(4-hydroxynaphthalen-1-yl)-1,3-benzoxazol-6-ol
SMILESOc1ccc2nc(-c3ccc(O)c4ccccc34)oc2c1
InChIInChI=1S/C17H11NO3/c19-10-5-7-14-16(9-10)21-17(18-14)13-6-8-15(20)12-4-2-1-3-11(12)13/h1-9,19-20H
InChIKeyJOCGYNKOMBFRII-UHFFFAOYSA-N
XLogP4.06
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Benzoxazolyl)phenol
CID 13269
2-(5-Hydroxy-naphthalen-1-YL)-1,3-benzooxazol-6-OL
CID 4369550
4-(1,3-Benzoxazol-2-yl)-2,6-dimethylphenol
CID 135566325
4-(6-Methyl-benzooxazol-2-yl)-phenol
CID 834576
2-(6-Hydroxy-naphthalen-1-yl)-benzooxazol-5-ol
CID 9993627
2-(6-Hydroxynaphthalen-1-yl)benzo(d)oxazol-6-ol
CID 10062042
2-(2-Adamantylidenemethyl)-1,3-benzoxazol-6-ol
CID 22733402
2-[(1S)-5-[3-(1,3-benzoxazol-6-yloxy)propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 24776385
2-(4-Hydroxy-phenyl)-7-phenyl-benzooxazol-5-ol
CID 135409756
3-(6-Hydroxy-benzooxazol-2-yl)-benzene-1,2-diol
CID 135430305
2-(4-Hydroxy-phenyl)-7-isopropyl-benzooxazol-5-ol
CID 135442595
2-(6-Hydroxynaphthalen-2-yl)benzo[d]oxazol-6-ol
CID 135449109

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxynaphthalen-1-yl)-1,3-benzoxazol-6-ol?
The IUPAC name of 2-(4-hydroxynaphthalen-1-yl)-1,3-benzoxazol-6-ol (CID 135503567) is 2-(4-hydroxynaphthalen-1-yl)-1,3-benzoxazol-6-ol.
What is the SMILES notation for 2-(4-hydroxynaphthalen-1-yl)-1,3-benzoxazol-6-ol?
The canonical SMILES for 2-(4-hydroxynaphthalen-1-yl)-1,3-benzoxazol-6-ol is Oc1ccc2nc(-c3ccc(O)c4ccccc34)oc2c1.
What is the InChIKey of 2-(4-hydroxynaphthalen-1-yl)-1,3-benzoxazol-6-ol?
The InChIKey is JOCGYNKOMBFRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO3/c19-10-5-7-14-16(9-10)21-17(18-14)13-6-8-15(20)12-4-2-1-3-11(12)13/h1-9,19-20H.
What are the key properties of 2-(4-hydroxynaphthalen-1-yl)-1,3-benzoxazol-6-ol?
2-(4-hydroxynaphthalen-1-yl)-1,3-benzoxazol-6-ol has a molecular weight of 277.28 g/mol, XLogP of 4.06, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxynaphthalen-1-yl)-1,3-benzoxazol-6-ol is sourced from PubChem (CID 135503567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).