ethyl 2-[2-amino-2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethoxy]acetate

C13H16N2O5 — CID 61328772

IUPACethyl 2-[2-amino-2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethoxy]acetate
SMILESCCOC(=O)COCC(N)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C13H16N2O5/c1-2-19-12(16)7-18-6-9(14)8-3-4-10-11(5-8)20-13(17)15-10/h3-5,9H,2,6-7,14H2,1H3,(H,15,17)
InChIKeyRRVNSRDSEQWXBV-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.70
Rot. Bonds6

About ethyl 2-[2-amino-2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethoxy]acetate

ethyl 2-[2-amino-2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethoxy]acetate (PubChem CID 61328772) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is ethyl 2-[2-amino-2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-amino-2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethoxy]acetate
PubChem CID61328772
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Nameethyl 2-[2-amino-2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethoxy]acetate
SMILESCCOC(=O)COCC(N)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C13H16N2O5/c1-2-19-12(16)7-18-6-9(14)8-3-4-10-11(5-8)20-13(17)15-10/h3-5,9H,2,6-7,14H2,1H3,(H,15,17)
InChIKeyRRVNSRDSEQWXBV-UHFFFAOYSA-N
XLogP0.70
TPSA107.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[2-amino-2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethoxy]acetate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-[2-amino-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethoxy]acetate
CID 61328180
ethyl 4-amino-2,2-dimethyl-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanoate
CID 65297666
6-(1,2-diaminoethyl)-3H-1,3-benzoxazol-2-one
CID 116855514
2-amino-N-methyl-2-(2-oxo-3H-1,3-benzoxazol-6-yl)acetohydrazide
CID 116848980
ethyl 2-[(2R)-2-amino-2-(4-bromophenyl)ethoxy]acetate
CID 153439532
6-(1-hydroxy-2-oxobutyl)-3H-1,3-benzoxazol-2-one
CID 116835871
6-(1,4-diamino-4-methylpentyl)-3H-1,3-benzoxazol-2-one
CID 116934795
6-(1-amino-2-methylpropyl)-3H-1,3-benzoxazol-2-one
CID 43139983
6-(1-bromo-2-oxopropyl)-3H-1,3-benzoxazol-2-one
CID 116859829
2-[amino-(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]butanenitrile
CID 116946233
6-[(4-ethoxyphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one
CID 61087841
6-[(2-ethoxyphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one
CID 61089330

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-amino-2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethoxy]acetate?
The IUPAC name of ethyl 2-[2-amino-2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethoxy]acetate (CID 61328772) is ethyl 2-[2-amino-2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-amino-2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethoxy]acetate?
The canonical SMILES for ethyl 2-[2-amino-2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethoxy]acetate is CCOC(=O)COCC(N)c1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of ethyl 2-[2-amino-2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethoxy]acetate?
The InChIKey is RRVNSRDSEQWXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-2-19-12(16)7-18-6-9(14)8-3-4-10-11(5-8)20-13(17)15-10/h3-5,9H,2,6-7,14H2,1H3,(H,15,17).
What are the key properties of ethyl 2-[2-amino-2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethoxy]acetate?
ethyl 2-[2-amino-2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethoxy]acetate has a molecular weight of 280.28 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-amino-2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethoxy]acetate is sourced from PubChem (CID 61328772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).