methyl 2-[6-(6-methoxy-1,3-benzoxazol-2-yl)naphthalen-2-yl]oxyacetate

C21H17NO5 — CID 151661661

IUPACmethyl 2-[6-(6-methoxy-1,3-benzoxazol-2-yl)naphthalen-2-yl]oxyacetate
SMILESCOC(=O)COc1ccc2cc(-c3nc4ccc(OC)cc4o3)ccc2c1
InChIInChI=1S/C21H17NO5/c1-24-16-7-8-18-19(11-16)27-21(22-18)15-4-3-14-10-17(6-5-13(14)9-15)26-12-20(23)25-2/h3-11H,12H2,1-2H3
InChIKeyQWQXLYARRYNFSP-UHFFFAOYSA-N
MW363.37 g/mol
LogP4.21
Rot. Bonds5

About methyl 2-[6-(6-methoxy-1,3-benzoxazol-2-yl)naphthalen-2-yl]oxyacetate

methyl 2-[6-(6-methoxy-1,3-benzoxazol-2-yl)naphthalen-2-yl]oxyacetate (PubChem CID 151661661) has the molecular formula C21H17NO5 and a molecular weight of 363.37 g/mol. Its IUPAC name is methyl 2-[6-(6-methoxy-1,3-benzoxazol-2-yl)naphthalen-2-yl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[6-(6-methoxy-1,3-benzoxazol-2-yl)naphthalen-2-yl]oxyacetate
PubChem CID151661661
Molecular FormulaC21H17NO5
Molecular Weight363.37 g/mol
Exact Mass363.11
IUPAC Namemethyl 2-[6-(6-methoxy-1,3-benzoxazol-2-yl)naphthalen-2-yl]oxyacetate
SMILESCOC(=O)COc1ccc2cc(-c3nc4ccc(OC)cc4o3)ccc2c1
InChIInChI=1S/C21H17NO5/c1-24-16-7-8-18-19(11-16)27-21(22-18)15-4-3-14-10-17(6-5-13(14)9-15)26-12-20(23)25-2/h3-11H,12H2,1-2H3
InChIKeyQWQXLYARRYNFSP-UHFFFAOYSA-N
XLogP4.21
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 6-[6-(6-methoxy-1,3-benzoxazol-2-yl)naphthalen-2-yl]oxyhexanoate
CID 11743593
methyl 2-(7-methoxynaphthalen-2-yl)oxyacetate
CID 156858982
N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-naphthalen-2-yloxyacetamide
CID 3581240
diethyl 2-[5-[6-[6-(7-ethoxy-6-ethoxycarbonyl-7-oxoheptoxy)-1,3-benzoxazol-2-yl]naphthalen-2-yl]oxypentyl]propanedioate
CID 10439953
2-hydroxy-1-[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]ethanone
CID 149261528
[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]methanol
CID 15629818
6-methoxy-2-(3-methylphenyl)-1,3-benzoxazole
CID 135041335
methyl 2-[3-(4-methoxyphenyl)-4-methyl-2-oxochromen-7-yl]oxyacetate
CID 7198355
N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]-2-(4-methoxyphenoxy)acetamide
CID 1160093
6-methoxy-2-(6-propoxy-3-pyridinyl)-1,3-benzoxazole
CID 71148352
5-(6-methoxy-1,3-benzoxazol-2-yl)-N,N-dimethylpyrimidin-2-amine
CID 24780658
2-(4-methoxyphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 17092669

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-(6-methoxy-1,3-benzoxazol-2-yl)naphthalen-2-yl]oxyacetate?
The IUPAC name of methyl 2-[6-(6-methoxy-1,3-benzoxazol-2-yl)naphthalen-2-yl]oxyacetate (CID 151661661) is methyl 2-[6-(6-methoxy-1,3-benzoxazol-2-yl)naphthalen-2-yl]oxyacetate.
What is the SMILES notation for methyl 2-[6-(6-methoxy-1,3-benzoxazol-2-yl)naphthalen-2-yl]oxyacetate?
The canonical SMILES for methyl 2-[6-(6-methoxy-1,3-benzoxazol-2-yl)naphthalen-2-yl]oxyacetate is COC(=O)COc1ccc2cc(-c3nc4ccc(OC)cc4o3)ccc2c1.
What is the InChIKey of methyl 2-[6-(6-methoxy-1,3-benzoxazol-2-yl)naphthalen-2-yl]oxyacetate?
The InChIKey is QWQXLYARRYNFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO5/c1-24-16-7-8-18-19(11-16)27-21(22-18)15-4-3-14-10-17(6-5-13(14)9-15)26-12-20(23)25-2/h3-11H,12H2,1-2H3.
What are the key properties of methyl 2-[6-(6-methoxy-1,3-benzoxazol-2-yl)naphthalen-2-yl]oxyacetate?
methyl 2-[6-(6-methoxy-1,3-benzoxazol-2-yl)naphthalen-2-yl]oxyacetate has a molecular weight of 363.37 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-(6-methoxy-1,3-benzoxazol-2-yl)naphthalen-2-yl]oxyacetate is sourced from PubChem (CID 151661661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).