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

C18H23NO4 — CID 2997754

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(5-methyl-2-propan-2-ylphenoxy)acetate
SMILESCc1ccc(C(C)C)c(OCC(=O)OCc2c(C)noc2C)c1
InChIInChI=1S/C18H23NO4/c1-11(2)15-7-6-12(3)8-17(15)21-10-18(20)22-9-16-13(4)19-23-14(16)5/h6-8,11H,9-10H2,1-5H3
InChIKeyVJUMXKYFLAEBPD-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.85
Rot. Bonds6

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

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(5-methyl-2-propan-2-ylphenoxy)acetate (PubChem CID 2997754) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(5-methyl-2-propan-2-ylphenoxy)acetate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(5-methyl-2-propan-2-ylphenoxy)acetate
PubChem CID2997754
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(5-methyl-2-propan-2-ylphenoxy)acetate
SMILESCc1ccc(C(C)C)c(OCC(=O)OCc2c(C)noc2C)c1
InChIInChI=1S/C18H23NO4/c1-11(2)15-7-6-12(3)8-17(15)21-10-18(20)22-9-16-13(4)19-23-14(16)5/h6-8,11H,9-10H2,1-5H3
InChIKeyVJUMXKYFLAEBPD-UHFFFAOYSA-N
XLogP3.85
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(5-methyl-2-propan-2-ylphenoxy)acetate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(5-methyl-2-propan-2-ylphenoxy)acetate (CID 2997754) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(5-methyl-2-propan-2-ylphenoxy)acetate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(5-methyl-2-propan-2-ylphenoxy)acetate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(5-methyl-2-propan-2-ylphenoxy)acetate is Cc1ccc(C(C)C)c(OCC(=O)OCc2c(C)noc2C)c1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(5-methyl-2-propan-2-ylphenoxy)acetate?
The InChIKey is VJUMXKYFLAEBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-11(2)15-7-6-12(3)8-17(15)21-10-18(20)22-9-16-13(4)19-23-14(16)5/h6-8,11H,9-10H2,1-5H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(5-methyl-2-propan-2-ylphenoxy)acetate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(5-methyl-2-propan-2-ylphenoxy)acetate has a molecular weight of 317.39 g/mol, XLogP of 3.85, 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 2-(5-methyl-2-propan-2-ylphenoxy)acetate is sourced from PubChem (CID 2997754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).