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

C18H15NO3 — CID 10517811

IUPACmethyl 2-(2,4-diphenyl-1,3-oxazol-5-yl)acetate
SMILESCOC(=O)Cc1oc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C18H15NO3/c1-21-16(20)12-15-17(13-8-4-2-5-9-13)19-18(22-15)14-10-6-3-7-11-14/h2-11H,12H2,1H3
InChIKeyABEUJDKYOZKPEZ-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.72
Rot. Bonds4

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

methyl 2-(2,4-diphenyl-1,3-oxazol-5-yl)acetate (PubChem CID 10517811) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is methyl 2-(2,4-diphenyl-1,3-oxazol-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2,4-diphenyl-1,3-oxazol-5-yl)acetate
PubChem CID10517811
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Namemethyl 2-(2,4-diphenyl-1,3-oxazol-5-yl)acetate
SMILESCOC(=O)Cc1oc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C18H15NO3/c1-21-16(20)12-15-17(13-8-4-2-5-9-13)19-18(22-15)14-10-6-3-7-11-14/h2-11H,12H2,1H3
InChIKeyABEUJDKYOZKPEZ-UHFFFAOYSA-N
XLogP3.72
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,4-diphenyl-1,3-oxazol-5-yl)acetate?
The IUPAC name of methyl 2-(2,4-diphenyl-1,3-oxazol-5-yl)acetate (CID 10517811) is methyl 2-(2,4-diphenyl-1,3-oxazol-5-yl)acetate.
What is the SMILES notation for methyl 2-(2,4-diphenyl-1,3-oxazol-5-yl)acetate?
The canonical SMILES for methyl 2-(2,4-diphenyl-1,3-oxazol-5-yl)acetate is COC(=O)Cc1oc(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of methyl 2-(2,4-diphenyl-1,3-oxazol-5-yl)acetate?
The InChIKey is ABEUJDKYOZKPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-21-16(20)12-15-17(13-8-4-2-5-9-13)19-18(22-15)14-10-6-3-7-11-14/h2-11H,12H2,1H3.
What are the key properties of methyl 2-(2,4-diphenyl-1,3-oxazol-5-yl)acetate?
methyl 2-(2,4-diphenyl-1,3-oxazol-5-yl)acetate has a molecular weight of 293.32 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,4-diphenyl-1,3-oxazol-5-yl)acetate is sourced from PubChem (CID 10517811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).