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

C17H15NO3 — CID 613667

IUPACmethyl 2,3-diphenyl-3H-1,2-oxazole-4-carboxylate
SMILESCOC(=O)C1=CON(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C17H15NO3/c1-20-17(19)15-12-21-18(14-10-6-3-7-11-14)16(15)13-8-4-2-5-9-13/h2-12,16H,1H3
InChIKeyYSJKUEFWTPGBQR-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.24
Rot. Bonds3

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

methyl 2,3-diphenyl-3H-1,2-oxazole-4-carboxylate (PubChem CID 613667) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 2,3-diphenyl-3H-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2,3-diphenyl-3H-1,2-oxazole-4-carboxylate
PubChem CID613667
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Namemethyl 2,3-diphenyl-3H-1,2-oxazole-4-carboxylate
SMILESCOC(=O)C1=CON(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C17H15NO3/c1-20-17(19)15-12-21-18(14-10-6-3-7-11-14)16(15)13-8-4-2-5-9-13/h2-12,16H,1H3
InChIKeyYSJKUEFWTPGBQR-UHFFFAOYSA-N
XLogP3.24
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2,3-diphenyl-3H-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 2,3-diphenyl-3H-1,2-oxazole-4-carboxylate (CID 613667) is methyl 2,3-diphenyl-3H-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2,3-diphenyl-3H-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 2,3-diphenyl-3H-1,2-oxazole-4-carboxylate is COC(=O)C1=CON(c2ccccc2)C1c1ccccc1.
What is the InChIKey of methyl 2,3-diphenyl-3H-1,2-oxazole-4-carboxylate?
The InChIKey is YSJKUEFWTPGBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-20-17(19)15-12-21-18(14-10-6-3-7-11-14)16(15)13-8-4-2-5-9-13/h2-12,16H,1H3.
What are the key properties of methyl 2,3-diphenyl-3H-1,2-oxazole-4-carboxylate?
methyl 2,3-diphenyl-3H-1,2-oxazole-4-carboxylate has a molecular weight of 281.31 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-diphenyl-3H-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 613667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).