methyl 3,5-diphenyl-1,2-oxazole-4-carboxylate

C17H13NO3 — CID 827480

IUPACmethyl 3,5-diphenyl-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)noc1-c1ccccc1
InChIInChI=1S/C17H13NO3/c1-20-17(19)14-15(12-8-4-2-5-9-12)18-21-16(14)13-10-6-3-7-11-13/h2-11H,1H3
InChIKeyWDAOZAXXZFWIOD-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.80
Rot. Bonds3

About methyl 3,5-diphenyl-1,2-oxazole-4-carboxylate

methyl 3,5-diphenyl-1,2-oxazole-4-carboxylate (PubChem CID 827480) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is methyl 3,5-diphenyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3,5-diphenyl-1,2-oxazole-4-carboxylate
PubChem CID827480
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Namemethyl 3,5-diphenyl-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)noc1-c1ccccc1
InChIInChI=1S/C17H13NO3/c1-20-17(19)14-15(12-8-4-2-5-9-12)18-21-16(14)13-10-6-3-7-11-13/h2-11H,1H3
InChIKeyWDAOZAXXZFWIOD-UHFFFAOYSA-N
XLogP3.80
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3,5-diphenyl-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 3,5-diphenyl-1,2-oxazole-4-carboxylate (CID 827480) is methyl 3,5-diphenyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 3,5-diphenyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 3,5-diphenyl-1,2-oxazole-4-carboxylate is COC(=O)c1c(-c2ccccc2)noc1-c1ccccc1.
What is the InChIKey of methyl 3,5-diphenyl-1,2-oxazole-4-carboxylate?
The InChIKey is WDAOZAXXZFWIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-20-17(19)14-15(12-8-4-2-5-9-12)18-21-16(14)13-10-6-3-7-11-13/h2-11H,1H3.
What are the key properties of methyl 3,5-diphenyl-1,2-oxazole-4-carboxylate?
methyl 3,5-diphenyl-1,2-oxazole-4-carboxylate has a molecular weight of 279.30 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,5-diphenyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 827480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).