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

C15H14N2O4 — CID 2435064

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(4-cyanophenoxy)acetate
SMILESCc1noc(C)c1COC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C15H14N2O4/c1-10-14(11(2)21-17-10)8-20-15(18)9-19-13-5-3-12(7-16)4-6-13/h3-6H,8-9H2,1-2H3
InChIKeyYRKYHEYXQVXAFA-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.29
Rot. Bonds5

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

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(4-cyanophenoxy)acetate (PubChem CID 2435064) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(4-cyanophenoxy)acetate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(4-cyanophenoxy)acetate
PubChem CID2435064
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(4-cyanophenoxy)acetate
SMILESCc1noc(C)c1COC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C15H14N2O4/c1-10-14(11(2)21-17-10)8-20-15(18)9-19-13-5-3-12(7-16)4-6-13/h3-6H,8-9H2,1-2H3
InChIKeyYRKYHEYXQVXAFA-UHFFFAOYSA-N
XLogP2.29
TPSA85.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(4-cyanophenoxy)acetate 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 2-(4-cyanophenoxy)acetate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(4-cyanophenoxy)acetate (CID 2435064) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(4-cyanophenoxy)acetate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(4-cyanophenoxy)acetate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(4-cyanophenoxy)acetate is Cc1noc(C)c1COC(=O)COc1ccc(C#N)cc1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(4-cyanophenoxy)acetate?
The InChIKey is YRKYHEYXQVXAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-10-14(11(2)21-17-10)8-20-15(18)9-19-13-5-3-12(7-16)4-6-13/h3-6H,8-9H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(4-cyanophenoxy)acetate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(4-cyanophenoxy)acetate has a molecular weight of 286.29 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(4-cyanophenoxy)acetate is sourced from PubChem (CID 2435064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).