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

C14H15NO3 — CID 11288037

IUPACethyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate
SMILESCCOC(=O)Cc1nc(-c2ccccc2)oc1C
InChIInChI=1S/C14H15NO3/c1-3-17-13(16)9-12-10(2)18-14(15-12)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3
InChIKeyBIYIMMVCHPSMJI-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.76
Rot. Bonds4

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

ethyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate (PubChem CID 11288037) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is ethyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate
PubChem CID11288037
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Nameethyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate
SMILESCCOC(=O)Cc1nc(-c2ccccc2)oc1C
InChIInChI=1S/C14H15NO3/c1-3-17-13(16)9-12-10(2)18-14(15-12)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3
InChIKeyBIYIMMVCHPSMJI-UHFFFAOYSA-N
XLogP2.76
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate?
The IUPAC name of ethyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate (CID 11288037) is ethyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate.
What is the SMILES notation for ethyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate?
The canonical SMILES for ethyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate is CCOC(=O)Cc1nc(-c2ccccc2)oc1C.
What is the InChIKey of ethyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate?
The InChIKey is BIYIMMVCHPSMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-3-17-13(16)9-12-10(2)18-14(15-12)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3.
What are the key properties of ethyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate?
ethyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate has a molecular weight of 245.28 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate is sourced from PubChem (CID 11288037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).