ethyl 2-(1,3-benzoxazol-2-yl)acetate

C11H11NO3 — CID 4004290

IUPACethyl 2-(1,3-benzoxazol-2-yl)acetate
SMILESCCOC(=O)Cc1nc2ccccc2o1
InChIInChI=1S/C11H11NO3/c1-2-14-11(13)7-10-12-8-5-3-4-6-9(8)15-10/h3-6H,2,7H2,1H3
InChIKeyPEUNWNPBUTVGSI-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.93
Rot. Bonds3

About ethyl 2-(1,3-benzoxazol-2-yl)acetate

ethyl 2-(1,3-benzoxazol-2-yl)acetate (PubChem CID 4004290) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is ethyl 2-(1,3-benzoxazol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1,3-benzoxazol-2-yl)acetate
PubChem CID4004290
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Nameethyl 2-(1,3-benzoxazol-2-yl)acetate
SMILESCCOC(=O)Cc1nc2ccccc2o1
InChIInChI=1S/C11H11NO3/c1-2-14-11(13)7-10-12-8-5-3-4-6-9(8)15-10/h3-6H,2,7H2,1H3
InChIKeyPEUNWNPBUTVGSI-UHFFFAOYSA-N
XLogP1.93
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,3-benzoxazol-2-yl)acetate?
The IUPAC name of ethyl 2-(1,3-benzoxazol-2-yl)acetate (CID 4004290) is ethyl 2-(1,3-benzoxazol-2-yl)acetate.
What is the SMILES notation for ethyl 2-(1,3-benzoxazol-2-yl)acetate?
The canonical SMILES for ethyl 2-(1,3-benzoxazol-2-yl)acetate is CCOC(=O)Cc1nc2ccccc2o1.
What is the InChIKey of ethyl 2-(1,3-benzoxazol-2-yl)acetate?
The InChIKey is PEUNWNPBUTVGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-2-14-11(13)7-10-12-8-5-3-4-6-9(8)15-10/h3-6H,2,7H2,1H3.
What are the key properties of ethyl 2-(1,3-benzoxazol-2-yl)acetate?
ethyl 2-(1,3-benzoxazol-2-yl)acetate has a molecular weight of 205.21 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,3-benzoxazol-2-yl)acetate is sourced from PubChem (CID 4004290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).