ethyl 5-(2-phenylethyl)-1,2-oxazole-3-carboxylate

C14H15NO3 — CID 90326174

IUPACethyl 5-(2-phenylethyl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(CCc2ccccc2)on1
InChIInChI=1S/C14H15NO3/c1-2-17-14(16)13-10-12(18-15-13)9-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3
InChIKeyAHWJJDYVJXPSFS-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.64
Rot. Bonds5

About ethyl 5-(2-phenylethyl)-1,2-oxazole-3-carboxylate

ethyl 5-(2-phenylethyl)-1,2-oxazole-3-carboxylate (PubChem CID 90326174) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is ethyl 5-(2-phenylethyl)-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-phenylethyl)-1,2-oxazole-3-carboxylate
PubChem CID90326174
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Nameethyl 5-(2-phenylethyl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(CCc2ccccc2)on1
InChIInChI=1S/C14H15NO3/c1-2-17-14(16)13-10-12(18-15-13)9-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3
InChIKeyAHWJJDYVJXPSFS-UHFFFAOYSA-N
XLogP2.64
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-tridecyl-1,2-oxazole-3-carboxylate
CID 13169319
diethyl 3-(2-phenylethyl)-1,2-oxazole-4,5-dicarboxylate
CID 146164028
ethyl 5-(aminomethyl)-1,2-oxazole-3-carboxylate;2,2,2-trifluoroacetic acid
CID 68804151
ethyl 4-acetyl-5-(2-phenylethyl)-1,2-oxazole-3-carboxylate
CID 11033486
ethyl 5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxylate
CID 16767504
ethyl 5-[2-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethyl]-1,2-oxazole-3-carboxylate
CID 44549459
ethyl 5-[(E)-4-ethenylsulfanyl-3-methylbut-3-enyl]-1,2-oxazole-3-carboxylate
CID 134390041
ethyl 5-[(3-amino-1,2,4-triazol-1-yl)methyl]-1,2-oxazole-3-carboxylate
CID 46949174
ethyl 5-[5-ethyl-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate
CID 24773533
ethyl 2-ethyl-3-(2-phenylethyl)benzoate
CID 118039726
ethyl 6-benzyl-5-methylpyridine-2-carboxylate
CID 25194907
ethyl 5-(1-benzofuran-2-yl)-1,2-oxazole-3-carboxylate
CID 154791615

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-phenylethyl)-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-(2-phenylethyl)-1,2-oxazole-3-carboxylate (CID 90326174) is ethyl 5-(2-phenylethyl)-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(2-phenylethyl)-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-(2-phenylethyl)-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(CCc2ccccc2)on1.
What is the InChIKey of ethyl 5-(2-phenylethyl)-1,2-oxazole-3-carboxylate?
The InChIKey is AHWJJDYVJXPSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-2-17-14(16)13-10-12(18-15-13)9-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3.
What are the key properties of ethyl 5-(2-phenylethyl)-1,2-oxazole-3-carboxylate?
ethyl 5-(2-phenylethyl)-1,2-oxazole-3-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-phenylethyl)-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 90326174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).