ethyl 2-(3-phenylmethoxy-1,2-oxazol-5-yl)acetate

C14H15NO4 — CID 14484127

IUPACethyl 2-(3-phenylmethoxy-1,2-oxazol-5-yl)acetate
SMILESCCOC(=O)Cc1cc(OCc2ccccc2)no1
InChIInChI=1S/C14H15NO4/c1-2-17-14(16)9-12-8-13(15-19-12)18-10-11-6-4-3-5-7-11/h3-8H,2,9-10H2,1H3
InChIKeyLNYZWQAPDKYERI-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.36
Rot. Bonds6

About ethyl 2-(3-phenylmethoxy-1,2-oxazol-5-yl)acetate

ethyl 2-(3-phenylmethoxy-1,2-oxazol-5-yl)acetate (PubChem CID 14484127) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is ethyl 2-(3-phenylmethoxy-1,2-oxazol-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-phenylmethoxy-1,2-oxazol-5-yl)acetate
PubChem CID14484127
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Nameethyl 2-(3-phenylmethoxy-1,2-oxazol-5-yl)acetate
SMILESCCOC(=O)Cc1cc(OCc2ccccc2)no1
InChIInChI=1S/C14H15NO4/c1-2-17-14(16)9-12-8-13(15-19-12)18-10-11-6-4-3-5-7-11/h3-8H,2,9-10H2,1H3
InChIKeyLNYZWQAPDKYERI-UHFFFAOYSA-N
XLogP2.36
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-phenylmethoxy-1,2-oxazol-5-yl)acetate?
The IUPAC name of ethyl 2-(3-phenylmethoxy-1,2-oxazol-5-yl)acetate (CID 14484127) is ethyl 2-(3-phenylmethoxy-1,2-oxazol-5-yl)acetate.
What is the SMILES notation for ethyl 2-(3-phenylmethoxy-1,2-oxazol-5-yl)acetate?
The canonical SMILES for ethyl 2-(3-phenylmethoxy-1,2-oxazol-5-yl)acetate is CCOC(=O)Cc1cc(OCc2ccccc2)no1.
What is the InChIKey of ethyl 2-(3-phenylmethoxy-1,2-oxazol-5-yl)acetate?
The InChIKey is LNYZWQAPDKYERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-2-17-14(16)9-12-8-13(15-19-12)18-10-11-6-4-3-5-7-11/h3-8H,2,9-10H2,1H3.
What are the key properties of ethyl 2-(3-phenylmethoxy-1,2-oxazol-5-yl)acetate?
ethyl 2-(3-phenylmethoxy-1,2-oxazol-5-yl)acetate has a molecular weight of 261.28 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-phenylmethoxy-1,2-oxazol-5-yl)acetate is sourced from PubChem (CID 14484127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).