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

C13H13NO4 — CID 17423867

IUPAC(5-methyl-1,2-oxazol-3-yl)methyl 2-hydroxy-5-methylbenzoate
SMILESCc1ccc(O)c(C(=O)OCc2cc(C)on2)c1
InChIInChI=1S/C13H13NO4/c1-8-3-4-12(15)11(5-8)13(16)17-7-10-6-9(2)18-14-10/h3-6,15H,7H2,1-2H3
InChIKeyBYTXRFBWVKXEAL-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.35
Rot. Bonds3

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

(5-methyl-1,2-oxazol-3-yl)methyl 2-hydroxy-5-methylbenzoate (PubChem CID 17423867) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)methyl 2-hydroxy-5-methylbenzoate.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)methyl 2-hydroxy-5-methylbenzoate
PubChem CID17423867
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name(5-methyl-1,2-oxazol-3-yl)methyl 2-hydroxy-5-methylbenzoate
SMILESCc1ccc(O)c(C(=O)OCc2cc(C)on2)c1
InChIInChI=1S/C13H13NO4/c1-8-3-4-12(15)11(5-8)13(16)17-7-10-6-9(2)18-14-10/h3-6,15H,7H2,1-2H3
InChIKeyBYTXRFBWVKXEAL-UHFFFAOYSA-N
XLogP2.35
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-methyl-1,2-oxazol-3-yl)methyl 2-hydroxy-4-methoxybenzoate
CID 8945252
(5-methyl-1,2-oxazol-3-yl)methyl 2-(2,5-dimethylphenyl)sulfonyloxybenzoate
CID 8954366
(5-hydroxy-4-oxopyran-2-yl)methyl 2-hydroxy-5-methylbenzoate
CID 135364269
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-hydroxy-4-methylbenzoate
CID 8845331
(5-methyl-1,2-oxazol-3-yl)methyl 2-methyl-6-phenylpyridine-3-carboxylate
CID 26988923
(5-methyl-1,2-oxazol-3-yl)methyl 2-chloro-5-(2,5-dimethylpyrrol-1-yl)benzoate
CID 75413588
(5-methyl-1,2-oxazol-3-yl)methyl 3,5-dimethoxybenzoate
CID 8872522
(5-methyl-1,2-oxazol-3-yl)methyl 3-fluoro-4-methylbenzoate
CID 52515134
(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-hydroxy-5-methylbenzoate
CID 18089260
(5-methyl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonyl)benzoate
CID 9063187
(5-methyl-1,2-oxazol-3-yl)methyl 2-[benzyl(methyl)carbamoyl]benzoate
CID 8952093
(3-methylquinoxalin-2-yl)methyl 2-hydroxy-5-methylbenzoate
CID 18199245

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl 2-hydroxy-5-methylbenzoate?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl 2-hydroxy-5-methylbenzoate (CID 17423867) is (5-methyl-1,2-oxazol-3-yl)methyl 2-hydroxy-5-methylbenzoate.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)methyl 2-hydroxy-5-methylbenzoate?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)methyl 2-hydroxy-5-methylbenzoate is Cc1ccc(O)c(C(=O)OCc2cc(C)on2)c1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)methyl 2-hydroxy-5-methylbenzoate?
The InChIKey is BYTXRFBWVKXEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-8-3-4-12(15)11(5-8)13(16)17-7-10-6-9(2)18-14-10/h3-6,15H,7H2,1-2H3.
What are the key properties of (5-methyl-1,2-oxazol-3-yl)methyl 2-hydroxy-5-methylbenzoate?
(5-methyl-1,2-oxazol-3-yl)methyl 2-hydroxy-5-methylbenzoate has a molecular weight of 247.25 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)methyl 2-hydroxy-5-methylbenzoate is sourced from PubChem (CID 17423867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).