(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,3-dimethylbenzoate

C15H17NO3 — CID 2364748

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,3-dimethylbenzoate
SMILESCc1cccc(C(=O)OCc2c(C)noc2C)c1C
InChIInChI=1S/C15H17NO3/c1-9-6-5-7-13(10(9)2)15(17)18-8-14-11(3)16-19-12(14)4/h5-7H,8H2,1-4H3
InChIKeyLFUYAJJKVCBVAO-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.27
Rot. Bonds3

About (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,3-dimethylbenzoate

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,3-dimethylbenzoate (PubChem CID 2364748) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,3-dimethylbenzoate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,3-dimethylbenzoate
PubChem CID2364748
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,3-dimethylbenzoate
SMILESCc1cccc(C(=O)OCc2c(C)noc2C)c1C
InChIInChI=1S/C15H17NO3/c1-9-6-5-7-13(10(9)2)15(17)18-8-14-11(3)16-19-12(14)4/h5-7H,8H2,1-4H3
InChIKeyLFUYAJJKVCBVAO-UHFFFAOYSA-N
XLogP3.27
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-hydroxy-3-methoxybenzoate
CID 18075732
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,6-dimethoxybenzoate
CID 18074027
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-hydroxynaphthalene-2-carboxylate
CID 2098412
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-methylsulfanylpyridine-3-carboxylate
CID 4781705
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 7654825
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate
CID 30472941
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 2124287
aminomethyl 2,3-dimethylbenzoate
CID 66871801
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3,5-dimethoxy-4-methylbenzoate
CID 3881319
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-benzyl-2,5-dimethylpyrrole-3-carboxylate
CID 32924617
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-amino-5-chloro-2-methoxybenzoate
CID 18127735
methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate
CID 117054172

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,3-dimethylbenzoate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,3-dimethylbenzoate (CID 2364748) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,3-dimethylbenzoate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,3-dimethylbenzoate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,3-dimethylbenzoate is Cc1cccc(C(=O)OCc2c(C)noc2C)c1C.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,3-dimethylbenzoate?
The InChIKey is LFUYAJJKVCBVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-9-6-5-7-13(10(9)2)15(17)18-8-14-11(3)16-19-12(14)4/h5-7H,8H2,1-4H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,3-dimethylbenzoate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,3-dimethylbenzoate has a molecular weight of 259.31 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,3-dimethylbenzoate is sourced from PubChem (CID 2364748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).