methyl 3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate

C22H23NO4 — CID 10522854

IUPACmethyl 3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate
SMILESCOC(=O)CCc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1
InChIInChI=1S/C22H23NO4/c1-16-20(23-22(27-16)18-6-4-3-5-7-18)14-15-26-19-11-8-17(9-12-19)10-13-21(24)25-2/h3-9,11-12H,10,13-15H2,1-2H3
InChIKeyRDJAJUMKENHBEB-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.38
Rot. Bonds8

About methyl 3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate

methyl 3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate (PubChem CID 10522854) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is methyl 3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate
PubChem CID10522854
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Namemethyl 3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate
SMILESCOC(=O)CCc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1
InChIInChI=1S/C22H23NO4/c1-16-20(23-22(27-16)18-6-4-3-5-7-18)14-15-26-19-11-8-17(9-12-19)10-13-21(24)25-2/h3-9,11-12H,10,13-15H2,1-2H3
InChIKeyRDJAJUMKENHBEB-UHFFFAOYSA-N
XLogP4.38
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate?
The IUPAC name of methyl 3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate (CID 10522854) is methyl 3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate.
What is the SMILES notation for methyl 3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate?
The canonical SMILES for methyl 3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate is COC(=O)CCc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1.
What is the InChIKey of methyl 3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate?
The InChIKey is RDJAJUMKENHBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-16-20(23-22(27-16)18-6-4-3-5-7-18)14-15-26-19-11-8-17(9-12-19)10-13-21(24)25-2/h3-9,11-12H,10,13-15H2,1-2H3.
What are the key properties of methyl 3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate?
methyl 3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate has a molecular weight of 365.43 g/mol, XLogP of 4.38, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate is sourced from PubChem (CID 10522854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).