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

C15H17NO4 — CID 2087378

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-phenoxypropanoate
SMILESCc1noc(C)c1COC(=O)CCOc1ccccc1
InChIInChI=1S/C15H17NO4/c1-11-14(12(2)20-16-11)10-19-15(17)8-9-18-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3
InChIKeyVJFMXWCHMBOXGQ-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.80
Rot. Bonds6

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

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-phenoxypropanoate (PubChem CID 2087378) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-phenoxypropanoate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-phenoxypropanoate
PubChem CID2087378
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-phenoxypropanoate
SMILESCc1noc(C)c1COC(=O)CCOc1ccccc1
InChIInChI=1S/C15H17NO4/c1-11-14(12(2)20-16-11)10-19-15(17)8-9-18-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3
InChIKeyVJFMXWCHMBOXGQ-UHFFFAOYSA-N
XLogP2.80
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(Dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid
CID 706052
F1143-2849
CID 675503
(7-Methyl-2-oxochromen-4-yl)methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2539745
1-Cyanoethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 5030119
3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(trifluoromethyl)-1,2-oxazole
CID 6111476
3-[(Dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid
CID 704150
Phenyl 5-methyl-3-phenylisoxazole-4-carboxylate
CID 729253
(3,5-Dimethyl-1,2-oxazol-4-yl)methyl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 2122162
(3,5-Dimethyl-1,2-oxazol-4-yl)methyl 2-(4-phenylphenoxy)acetate
CID 2364688
(3,5-Dimethyl-1,2-oxazol-4-yl)methyl 4-(2,4-dichlorophenoxy)butanoate
CID 2434923
[2-[(2-Methylpropan-2-yl)oxy]-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2442775
(3,5-Dimethyl-1,2-oxazol-4-yl)methyl 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 2997754

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-phenoxypropanoate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-phenoxypropanoate (CID 2087378) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-phenoxypropanoate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-phenoxypropanoate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-phenoxypropanoate is Cc1noc(C)c1COC(=O)CCOc1ccccc1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-phenoxypropanoate?
The InChIKey is VJFMXWCHMBOXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-11-14(12(2)20-16-11)10-19-15(17)8-9-18-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-phenoxypropanoate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-phenoxypropanoate has a molecular weight of 275.30 g/mol, XLogP of 2.80, 6 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 3-phenoxypropanoate is sourced from PubChem (CID 2087378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).