methyl 2-[3-methoxy-2-(1,2-oxazol-3-ylmethoxy)phenyl]acetate

C14H15NO5 — CID 122142295

IUPACmethyl 2-[3-methoxy-2-(1,2-oxazol-3-ylmethoxy)phenyl]acetate
SMILESCOC(=O)Cc1cccc(OC)c1OCc1ccon1
InChIInChI=1S/C14H15NO5/c1-17-12-5-3-4-10(8-13(16)18-2)14(12)19-9-11-6-7-20-15-11/h3-7H,8-9H2,1-2H3
InChIKeyJBZRCDZDZXKDIJ-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.98
Rot. Bonds6

About methyl 2-[3-methoxy-2-(1,2-oxazol-3-ylmethoxy)phenyl]acetate

methyl 2-[3-methoxy-2-(1,2-oxazol-3-ylmethoxy)phenyl]acetate (PubChem CID 122142295) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is methyl 2-[3-methoxy-2-(1,2-oxazol-3-ylmethoxy)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-methoxy-2-(1,2-oxazol-3-ylmethoxy)phenyl]acetate
PubChem CID122142295
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Namemethyl 2-[3-methoxy-2-(1,2-oxazol-3-ylmethoxy)phenyl]acetate
SMILESCOC(=O)Cc1cccc(OC)c1OCc1ccon1
InChIInChI=1S/C14H15NO5/c1-17-12-5-3-4-10(8-13(16)18-2)14(12)19-9-11-6-7-20-15-11/h3-7H,8-9H2,1-2H3
InChIKeyJBZRCDZDZXKDIJ-UHFFFAOYSA-N
XLogP1.98
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-2-(1,2-oxazol-3-ylmethoxy)benzonitrile
CID 117052908
3-methoxy-4-(1,2-oxazol-3-ylmethoxy)benzoic acid
CID 117053432
trimethylsilyl 2-(2,3-dimethoxyphenyl)acetate
CID 553370
3-[(2-methoxyphenyl)methyl]-1,2-oxazole
CID 174471268
2-methoxy-6-(2-methoxy-2-oxoethyl)benzoic acid
CID 11064066
[3-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methanol
CID 43471608
1-(2-ethoxy-3-methoxyphenyl)propan-2-one
CID 13306100
methyl 2-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]acetate
CID 63057770
[3-methoxy-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]methanol
CID 79267114
2-(2-ethoxy-3-methoxyphenyl)acetate
CID 7139419
N-[[3-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63057278
[3-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]methanamine
CID 60889742

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-methoxy-2-(1,2-oxazol-3-ylmethoxy)phenyl]acetate?
The IUPAC name of methyl 2-[3-methoxy-2-(1,2-oxazol-3-ylmethoxy)phenyl]acetate (CID 122142295) is methyl 2-[3-methoxy-2-(1,2-oxazol-3-ylmethoxy)phenyl]acetate.
What is the SMILES notation for methyl 2-[3-methoxy-2-(1,2-oxazol-3-ylmethoxy)phenyl]acetate?
The canonical SMILES for methyl 2-[3-methoxy-2-(1,2-oxazol-3-ylmethoxy)phenyl]acetate is COC(=O)Cc1cccc(OC)c1OCc1ccon1.
What is the InChIKey of methyl 2-[3-methoxy-2-(1,2-oxazol-3-ylmethoxy)phenyl]acetate?
The InChIKey is JBZRCDZDZXKDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c1-17-12-5-3-4-10(8-13(16)18-2)14(12)19-9-11-6-7-20-15-11/h3-7H,8-9H2,1-2H3.
What are the key properties of methyl 2-[3-methoxy-2-(1,2-oxazol-3-ylmethoxy)phenyl]acetate?
methyl 2-[3-methoxy-2-(1,2-oxazol-3-ylmethoxy)phenyl]acetate has a molecular weight of 277.28 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-methoxy-2-(1,2-oxazol-3-ylmethoxy)phenyl]acetate is sourced from PubChem (CID 122142295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).