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

C13H13NO4 — CID 18123565

IUPAC(3-methyl-1,2-oxazol-5-yl)methyl 3-hydroxy-4-methylbenzoate
SMILESCc1cc(COC(=O)c2ccc(C)c(O)c2)on1
InChIInChI=1S/C13H13NO4/c1-8-3-4-10(6-12(8)15)13(16)17-7-11-5-9(2)14-18-11/h3-6,15H,7H2,1-2H3
InChIKeyJGRKTWMSMCXWLD-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.35
Rot. Bonds3

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

(3-methyl-1,2-oxazol-5-yl)methyl 3-hydroxy-4-methylbenzoate (PubChem CID 18123565) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl)methyl 3-hydroxy-4-methylbenzoate.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-5-yl)methyl 3-hydroxy-4-methylbenzoate
PubChem CID18123565
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name(3-methyl-1,2-oxazol-5-yl)methyl 3-hydroxy-4-methylbenzoate
SMILESCc1cc(COC(=O)c2ccc(C)c(O)c2)on1
InChIInChI=1S/C13H13NO4/c1-8-3-4-10(6-12(8)15)13(16)17-7-11-5-9(2)14-18-11/h3-6,15H,7H2,1-2H3
InChIKeyJGRKTWMSMCXWLD-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

(3-methyl-1,2-oxazol-5-yl)methyl 3,4-dimethoxybenzoate
CID 18099550
(3-methyl-1,2-oxazol-5-yl)methyl 4-chloro-3-sulfamoylbenzoate
CID 32709670
(3-methyl-1,2-oxazol-5-yl)methyl 4-acetamidobenzoate
CID 18098473
(3-methyl-1,2-oxazol-5-yl)methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate
CID 18100306
(3-methyl-1,2-oxazol-5-yl)methyl 4-(methylsulfonylmethyl)benzoate
CID 31801590
(3-methyl-1,2-oxazol-5-yl)methyl 3-acetamidobenzoate
CID 18099607
(3-methyl-1,2-oxazol-5-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate
CID 33084402
(3-methyl-1,2-oxazol-5-yl)methyl 4-(pyrazol-1-ylmethyl)benzoate
CID 18141838
(3-methyl-1,2-oxazol-5-yl)methyl 2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylate
CID 18099878
(3-methyl-1,2-oxazol-5-yl)methyl 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 9477863
(3-methyl-1,2-oxazol-5-yl)methyl 2-(4-chlorobenzoyl)benzoate
CID 18098467
[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl 3-hydroxy-4-methylbenzoate
CID 55737609

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 3-hydroxy-4-methylbenzoate?
The IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 3-hydroxy-4-methylbenzoate (CID 18123565) is (3-methyl-1,2-oxazol-5-yl)methyl 3-hydroxy-4-methylbenzoate.
What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)methyl 3-hydroxy-4-methylbenzoate?
The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)methyl 3-hydroxy-4-methylbenzoate is Cc1cc(COC(=O)c2ccc(C)c(O)c2)on1.
What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)methyl 3-hydroxy-4-methylbenzoate?
The InChIKey is JGRKTWMSMCXWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-8-3-4-10(6-12(8)15)13(16)17-7-11-5-9(2)14-18-11/h3-6,15H,7H2,1-2H3.
What are the key properties of (3-methyl-1,2-oxazol-5-yl)methyl 3-hydroxy-4-methylbenzoate?
(3-methyl-1,2-oxazol-5-yl)methyl 3-hydroxy-4-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 (3-methyl-1,2-oxazol-5-yl)methyl 3-hydroxy-4-methylbenzoate is sourced from PubChem (CID 18123565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).