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

C14H15NO4 — CID 2433828

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2c(C)noc2C)cc1
InChIInChI=1S/C14H15NO4/c1-9-13(10(2)19-15-9)8-18-14(16)11-4-6-12(17-3)7-5-11/h4-7H,8H2,1-3H3
InChIKeyPOAUGBVVMSQSSL-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.66
Rot. Bonds4

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

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-methoxybenzoate (PubChem CID 2433828) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-methoxybenzoate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-methoxybenzoate
PubChem CID2433828
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2c(C)noc2C)cc1
InChIInChI=1S/C14H15NO4/c1-9-13(10(2)19-15-9)8-18-14(16)11-4-6-12(17-3)7-5-11/h4-7H,8H2,1-3H3
InChIKeyPOAUGBVVMSQSSL-UHFFFAOYSA-N
XLogP2.66
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-methoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-methoxybenzoate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-methoxybenzoate (CID 2433828) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-methoxybenzoate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-methoxybenzoate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-methoxybenzoate is COc1ccc(C(=O)OCc2c(C)noc2C)cc1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-methoxybenzoate?
The InChIKey is POAUGBVVMSQSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-9-13(10(2)19-15-9)8-18-14(16)11-4-6-12(17-3)7-5-11/h4-7H,8H2,1-3H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-methoxybenzoate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-methoxybenzoate has a molecular weight of 261.28 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-methoxybenzoate is sourced from PubChem (CID 2433828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).