methyl 5-phenyl-1,2-oxazole-3-carboxylate

C11H9NO3 — CID 905953

IUPACmethyl 5-phenyl-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C11H9NO3/c1-14-11(13)9-7-10(15-12-9)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyXMPLCJOQBDGMKT-UHFFFAOYSA-N
MW203.20 g/mol
LogP2.13
Rot. Bonds2

About methyl 5-phenyl-1,2-oxazole-3-carboxylate

methyl 5-phenyl-1,2-oxazole-3-carboxylate (PubChem CID 905953) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is methyl 5-phenyl-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-phenyl-1,2-oxazole-3-carboxylate
PubChem CID905953
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Namemethyl 5-phenyl-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C11H9NO3/c1-14-11(13)9-7-10(15-12-9)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyXMPLCJOQBDGMKT-UHFFFAOYSA-N
XLogP2.13
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-phenyl-1,2-oxazole-3-carboxylate?
The IUPAC name of methyl 5-phenyl-1,2-oxazole-3-carboxylate (CID 905953) is methyl 5-phenyl-1,2-oxazole-3-carboxylate.
What is the SMILES notation for methyl 5-phenyl-1,2-oxazole-3-carboxylate?
The canonical SMILES for methyl 5-phenyl-1,2-oxazole-3-carboxylate is COC(=O)c1cc(-c2ccccc2)on1.
What is the InChIKey of methyl 5-phenyl-1,2-oxazole-3-carboxylate?
The InChIKey is XMPLCJOQBDGMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-14-11(13)9-7-10(15-12-9)8-5-3-2-4-6-8/h2-7H,1H3.
What are the key properties of methyl 5-phenyl-1,2-oxazole-3-carboxylate?
methyl 5-phenyl-1,2-oxazole-3-carboxylate has a molecular weight of 203.20 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-phenyl-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 905953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).