(5-methyl-1,2-oxazol-3-yl)methyl 3,5-dimethoxybenzoate

C14H15NO5 — CID 8872522

IUPAC(5-methyl-1,2-oxazol-3-yl)methyl 3,5-dimethoxybenzoate
SMILESCOc1cc(OC)cc(C(=O)OCc2cc(C)on2)c1
InChIInChI=1S/C14H15NO5/c1-9-4-11(15-20-9)8-19-14(16)10-5-12(17-2)7-13(6-10)18-3/h4-7H,8H2,1-3H3
InChIKeyQOWDCTZOBGEMEA-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.36
Rot. Bonds5

About (5-methyl-1,2-oxazol-3-yl)methyl 3,5-dimethoxybenzoate

(5-methyl-1,2-oxazol-3-yl)methyl 3,5-dimethoxybenzoate (PubChem CID 8872522) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)methyl 3,5-dimethoxybenzoate.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)methyl 3,5-dimethoxybenzoate
PubChem CID8872522
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Name(5-methyl-1,2-oxazol-3-yl)methyl 3,5-dimethoxybenzoate
SMILESCOc1cc(OC)cc(C(=O)OCc2cc(C)on2)c1
InChIInChI=1S/C14H15NO5/c1-9-4-11(15-20-9)8-19-14(16)10-5-12(17-2)7-13(6-10)18-3/h4-7H,8H2,1-3H3
InChIKeyQOWDCTZOBGEMEA-UHFFFAOYSA-N
XLogP2.36
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl 3,5-dimethoxybenzoate?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl 3,5-dimethoxybenzoate (CID 8872522) is (5-methyl-1,2-oxazol-3-yl)methyl 3,5-dimethoxybenzoate.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)methyl 3,5-dimethoxybenzoate?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)methyl 3,5-dimethoxybenzoate is COc1cc(OC)cc(C(=O)OCc2cc(C)on2)c1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)methyl 3,5-dimethoxybenzoate?
The InChIKey is QOWDCTZOBGEMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c1-9-4-11(15-20-9)8-19-14(16)10-5-12(17-2)7-13(6-10)18-3/h4-7H,8H2,1-3H3.
What are the key properties of (5-methyl-1,2-oxazol-3-yl)methyl 3,5-dimethoxybenzoate?
(5-methyl-1,2-oxazol-3-yl)methyl 3,5-dimethoxybenzoate has a molecular weight of 277.28 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)methyl 3,5-dimethoxybenzoate is sourced from PubChem (CID 8872522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).