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

C17H11NO3 — CID 10062042

IUPAC2-(6-hydroxynaphthalen-1-yl)-1,3-benzoxazol-6-ol
SMILESOc1ccc2c(-c3nc4ccc(O)cc4o3)cccc2c1
InChIInChI=1S/C17H11NO3/c19-11-4-6-13-10(8-11)2-1-3-14(13)17-18-15-7-5-12(20)9-16(15)21-17/h1-9,19-20H
InChIKeyZRGCERZQAHMXNC-UHFFFAOYSA-N
MW277.28 g/mol
LogP4.06
Rot. Bonds1

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

2-(6-hydroxynaphthalen-1-yl)-1,3-benzoxazol-6-ol (PubChem CID 10062042) has the molecular formula C17H11NO3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-(6-hydroxynaphthalen-1-yl)-1,3-benzoxazol-6-ol.

Molecular Properties

Compound Name2-(6-hydroxynaphthalen-1-yl)-1,3-benzoxazol-6-ol
PubChem CID10062042
Molecular FormulaC17H11NO3
Molecular Weight277.28 g/mol
Exact Mass277.07
IUPAC Name2-(6-hydroxynaphthalen-1-yl)-1,3-benzoxazol-6-ol
SMILESOc1ccc2c(-c3nc4ccc(O)cc4o3)cccc2c1
InChIInChI=1S/C17H11NO3/c19-11-4-6-13-10(8-11)2-1-3-14(13)17-18-15-7-5-12(20)9-16(15)21-17/h1-9,19-20H
InChIKeyZRGCERZQAHMXNC-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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Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxynaphthalen-1-yl)-1,3-benzoxazol-6-ol?
The IUPAC name of 2-(6-hydroxynaphthalen-1-yl)-1,3-benzoxazol-6-ol (CID 10062042) is 2-(6-hydroxynaphthalen-1-yl)-1,3-benzoxazol-6-ol.
What is the SMILES notation for 2-(6-hydroxynaphthalen-1-yl)-1,3-benzoxazol-6-ol?
The canonical SMILES for 2-(6-hydroxynaphthalen-1-yl)-1,3-benzoxazol-6-ol is Oc1ccc2c(-c3nc4ccc(O)cc4o3)cccc2c1.
What is the InChIKey of 2-(6-hydroxynaphthalen-1-yl)-1,3-benzoxazol-6-ol?
The InChIKey is ZRGCERZQAHMXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO3/c19-11-4-6-13-10(8-11)2-1-3-14(13)17-18-15-7-5-12(20)9-16(15)21-17/h1-9,19-20H.
What are the key properties of 2-(6-hydroxynaphthalen-1-yl)-1,3-benzoxazol-6-ol?
2-(6-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-(6-hydroxynaphthalen-1-yl)-1,3-benzoxazol-6-ol is sourced from PubChem (CID 10062042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).