(5-methyl-1,2-oxazol-3-yl)methyl 2-hydroxy-4-methoxybenzoate

C13H13NO5 — CID 8945252

IUPAC(5-methyl-1,2-oxazol-3-yl)methyl 2-hydroxy-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2cc(C)on2)c(O)c1
InChIInChI=1S/C13H13NO5/c1-8-5-9(14-19-8)7-18-13(16)11-4-3-10(17-2)6-12(11)15/h3-6,15H,7H2,1-2H3
InChIKeyHYEFMYOIJGUQKU-UHFFFAOYSA-N
MW263.25 g/mol
LogP2.05
Rot. Bonds4

About (5-methyl-1,2-oxazol-3-yl)methyl 2-hydroxy-4-methoxybenzoate

(5-methyl-1,2-oxazol-3-yl)methyl 2-hydroxy-4-methoxybenzoate (PubChem CID 8945252) has the molecular formula C13H13NO5 and a molecular weight of 263.25 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)methyl 2-hydroxy-4-methoxybenzoate.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)methyl 2-hydroxy-4-methoxybenzoate
PubChem CID8945252
Molecular FormulaC13H13NO5
Molecular Weight263.25 g/mol
Exact Mass263.08
IUPAC Name(5-methyl-1,2-oxazol-3-yl)methyl 2-hydroxy-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2cc(C)on2)c(O)c1
InChIInChI=1S/C13H13NO5/c1-8-5-9(14-19-8)7-18-13(16)11-4-3-10(17-2)6-12(11)15/h3-6,15H,7H2,1-2H3
InChIKeyHYEFMYOIJGUQKU-UHFFFAOYSA-N
XLogP2.05
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-methyl-1,2-oxazol-3-yl)methyl 2-hydroxy-5-methylbenzoate
CID 17423867
(5-methyl-1,2-oxazol-3-yl)methyl 3,5-dimethoxybenzoate
CID 8872522
(5-methyl-1,2-oxazol-3-yl)methyl 2-methyl-6-phenylpyridine-3-carboxylate
CID 26988923
(5-methyl-1,2-oxazol-3-yl)methyl 4-(2-amino-2-oxoethoxy)benzoate
CID 8679063
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-hydroxy-4-methylbenzoate
CID 8845331
(2,5-dimethoxyphenyl)methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate
CID 8647442
[(E)-but-2-enyl] 2-hydroxy-4-methoxybenzoate
CID 55562993
(5-phenyl-1,2-oxazol-3-yl)methyl 2-bromo-5-methoxybenzoate
CID 8809016
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-methylbenzoate
CID 16869792
(5-methyl-1,2-oxazol-3-yl)methyl (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
CID 8665539
(5-methyl-1,2-oxazol-3-yl)methyl 2-chloro-5-(2,5-dimethylpyrrol-1-yl)benzoate
CID 75413588
2-O-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 16870041

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl 2-hydroxy-4-methoxybenzoate?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl 2-hydroxy-4-methoxybenzoate (CID 8945252) is (5-methyl-1,2-oxazol-3-yl)methyl 2-hydroxy-4-methoxybenzoate.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)methyl 2-hydroxy-4-methoxybenzoate?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)methyl 2-hydroxy-4-methoxybenzoate is COc1ccc(C(=O)OCc2cc(C)on2)c(O)c1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)methyl 2-hydroxy-4-methoxybenzoate?
The InChIKey is HYEFMYOIJGUQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5/c1-8-5-9(14-19-8)7-18-13(16)11-4-3-10(17-2)6-12(11)15/h3-6,15H,7H2,1-2H3.
What are the key properties of (5-methyl-1,2-oxazol-3-yl)methyl 2-hydroxy-4-methoxybenzoate?
(5-methyl-1,2-oxazol-3-yl)methyl 2-hydroxy-4-methoxybenzoate has a molecular weight of 263.25 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 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 2-hydroxy-4-methoxybenzoate is sourced from PubChem (CID 8945252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).