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

C13H13NO3 — CID 15567335

IUPACethyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate
SMILESCCOC(=O)Cc1coc(-c2ccccc2)n1
InChIInChI=1S/C13H13NO3/c1-2-16-12(15)8-11-9-17-13(14-11)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3
InChIKeyWDASBQYNHGLIKJ-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.45
Rot. Bonds4

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

ethyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate (PubChem CID 15567335) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is ethyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate
PubChem CID15567335
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Nameethyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate
SMILESCCOC(=O)Cc1coc(-c2ccccc2)n1
InChIInChI=1S/C13H13NO3/c1-2-16-12(15)8-11-9-17-13(14-11)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3
InChIKeyWDASBQYNHGLIKJ-UHFFFAOYSA-N
XLogP2.45
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 55449308
ethyl 3,3-dimethyl-5-(2-phenyl-1,3-oxazol-4-yl)pentanoate
CID 160527947
[4-[4-(2-ethoxy-2-oxoethyl)-1,3-oxazol-2-yl]phenyl] sulfite
CID 163906316
3-methyl-1-(2-phenyl-1,3-oxazol-4-yl)butan-2-one
CID 164836493
(5-phenyl-1,2-oxazol-3-yl)methyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 55449171
ethyl 2-[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate
CID 58334161
3-(4-chlorophenoxy)propyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 55568894
N,N-dibutyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 54770947
ethyl 3-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoate
CID 51262315
N-(4-ethoxyphenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34802338
[2-(furan-2-carbonylamino)-2-oxoethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 55459622
N-methyl-N-[(2-methylphenyl)methyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 38036018

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate?
The IUPAC name of ethyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate (CID 15567335) is ethyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate.
What is the SMILES notation for ethyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate?
The canonical SMILES for ethyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate is CCOC(=O)Cc1coc(-c2ccccc2)n1.
What is the InChIKey of ethyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate?
The InChIKey is WDASBQYNHGLIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-2-16-12(15)8-11-9-17-13(14-11)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3.
What are the key properties of ethyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate?
ethyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate has a molecular weight of 231.25 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate is sourced from PubChem (CID 15567335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).