(3-methyl-1,2-oxazol-5-yl)methyl 3-(4-methylphenoxy)propanoate

C15H17NO4 — CID 55443409

IUPAC(3-methyl-1,2-oxazol-5-yl)methyl 3-(4-methylphenoxy)propanoate
SMILESCc1ccc(OCCC(=O)OCc2cc(C)no2)cc1
InChIInChI=1S/C15H17NO4/c1-11-3-5-13(6-4-11)18-8-7-15(17)19-10-14-9-12(2)16-20-14/h3-6,9H,7-8,10H2,1-2H3
InChIKeyQSPVOLAJDJCXOF-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.80
Rot. Bonds6

About (3-methyl-1,2-oxazol-5-yl)methyl 3-(4-methylphenoxy)propanoate

(3-methyl-1,2-oxazol-5-yl)methyl 3-(4-methylphenoxy)propanoate (PubChem CID 55443409) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl)methyl 3-(4-methylphenoxy)propanoate.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-5-yl)methyl 3-(4-methylphenoxy)propanoate
PubChem CID55443409
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name(3-methyl-1,2-oxazol-5-yl)methyl 3-(4-methylphenoxy)propanoate
SMILESCc1ccc(OCCC(=O)OCc2cc(C)no2)cc1
InChIInChI=1S/C15H17NO4/c1-11-3-5-13(6-4-11)18-8-7-15(17)19-10-14-9-12(2)16-20-14/h3-6,9H,7-8,10H2,1-2H3
InChIKeyQSPVOLAJDJCXOF-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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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 3-(4-methylphenoxy)propanoate?
The IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 3-(4-methylphenoxy)propanoate (CID 55443409) is (3-methyl-1,2-oxazol-5-yl)methyl 3-(4-methylphenoxy)propanoate.
What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)methyl 3-(4-methylphenoxy)propanoate?
The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)methyl 3-(4-methylphenoxy)propanoate is Cc1ccc(OCCC(=O)OCc2cc(C)no2)cc1.
What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)methyl 3-(4-methylphenoxy)propanoate?
The InChIKey is QSPVOLAJDJCXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-11-3-5-13(6-4-11)18-8-7-15(17)19-10-14-9-12(2)16-20-14/h3-6,9H,7-8,10H2,1-2H3.
What are the key properties of (3-methyl-1,2-oxazol-5-yl)methyl 3-(4-methylphenoxy)propanoate?
(3-methyl-1,2-oxazol-5-yl)methyl 3-(4-methylphenoxy)propanoate 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-methyl-1,2-oxazol-5-yl)methyl 3-(4-methylphenoxy)propanoate is sourced from PubChem (CID 55443409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).