ethyl 2-furo[3,2-f][1,2]benzoxazol-3-ylacetate

C13H11NO4 — CID 164736948

IUPACethyl 2-furo[3,2-f][1,2]benzoxazol-3-ylacetate
SMILESCCOC(=O)Cc1noc2cc3occc3cc12
InChIInChI=1S/C13H11NO4/c1-2-16-13(15)6-10-9-5-8-3-4-17-11(8)7-12(9)18-14-10/h3-5,7H,2,6H2,1H3
InChIKeyDMVPHGASCNRNIK-UHFFFAOYSA-N
MW245.23 g/mol
LogP2.68
Rot. Bonds3

About ethyl 2-furo[3,2-f][1,2]benzoxazol-3-ylacetate

ethyl 2-furo[3,2-f][1,2]benzoxazol-3-ylacetate (PubChem CID 164736948) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is ethyl 2-furo[3,2-f][1,2]benzoxazol-3-ylacetate.

Molecular Properties

Compound Nameethyl 2-furo[3,2-f][1,2]benzoxazol-3-ylacetate
PubChem CID164736948
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Nameethyl 2-furo[3,2-f][1,2]benzoxazol-3-ylacetate
SMILESCCOC(=O)Cc1noc2cc3occc3cc12
InChIInChI=1S/C13H11NO4/c1-2-16-13(15)6-10-9-5-8-3-4-17-11(8)7-12(9)18-14-10/h3-5,7H,2,6H2,1H3
InChIKeyDMVPHGASCNRNIK-UHFFFAOYSA-N
XLogP2.68
TPSA65.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(7-fluorobenzo[e][1,2]benzoxazol-1-yl)acetate
CID 164736922
ethyl 2-(5-ethyl-4-hydroxy-1,2-benzoxazol-3-yl)acetate
CID 167001401
ethyl 2-(7-hydroxy-1-benzofuran-5-yl)acetate
CID 58820000
ethyl 2-[7-(2-methoxyethoxy)benzo[e][1,2]benzoxazol-1-yl]acetate
CID 167001179
ethyl 2-(3,6-dibromo-2-pyridinyl)acetate
CID 121228136
diethyl 2-(1-benzofuran-6-yl)propanedioate
CID 166892758
(3-chloro-4-methylquinolin-2-yl)methyl 2-(1,2-benzoxazol-3-yl)acetate
CID 8985221
2-[[2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]butanoic acid
CID 108804264
ethyl 2-(3-bromo-6-methyl-2-pyridinyl)acetate
CID 171029890
N-ethyl-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108790457
5-ethyl-6-methyl-1-benzofuran
CID 143804380
ethyl 2-[4-[(7-bromo-1-benzofuran-5-yl)methoxy]-1-benzofuran-5-yl]acetate
CID 139560672

Frequently Asked Questions

What is the IUPAC name of ethyl 2-furo[3,2-f][1,2]benzoxazol-3-ylacetate?
The IUPAC name of ethyl 2-furo[3,2-f][1,2]benzoxazol-3-ylacetate (CID 164736948) is ethyl 2-furo[3,2-f][1,2]benzoxazol-3-ylacetate.
What is the SMILES notation for ethyl 2-furo[3,2-f][1,2]benzoxazol-3-ylacetate?
The canonical SMILES for ethyl 2-furo[3,2-f][1,2]benzoxazol-3-ylacetate is CCOC(=O)Cc1noc2cc3occc3cc12.
What is the InChIKey of ethyl 2-furo[3,2-f][1,2]benzoxazol-3-ylacetate?
The InChIKey is DMVPHGASCNRNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c1-2-16-13(15)6-10-9-5-8-3-4-17-11(8)7-12(9)18-14-10/h3-5,7H,2,6H2,1H3.
What are the key properties of ethyl 2-furo[3,2-f][1,2]benzoxazol-3-ylacetate?
ethyl 2-furo[3,2-f][1,2]benzoxazol-3-ylacetate has a molecular weight of 245.23 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-furo[3,2-f][1,2]benzoxazol-3-ylacetate is sourced from PubChem (CID 164736948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).