ethyl 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-propylamino]acetate

C16H20N2O5 — CID 87020688

IUPACethyl 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C16H20N2O5/c1-3-9-17(11-15(20)22-4-2)14(19)10-18-12-7-5-6-8-13(12)23-16(18)21/h5-8H,3-4,9-11H2,1-2H3
InChIKeyDBGOUYCWTQVSSB-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.40
Rot. Bonds7

About ethyl 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-propylamino]acetate

ethyl 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-propylamino]acetate (PubChem CID 87020688) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is ethyl 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-propylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-propylamino]acetate
PubChem CID87020688
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Nameethyl 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C16H20N2O5/c1-3-9-17(11-15(20)22-4-2)14(19)10-18-12-7-5-6-8-13(12)23-16(18)21/h5-8H,3-4,9-11H2,1-2H3
InChIKeyDBGOUYCWTQVSSB-UHFFFAOYSA-N
XLogP1.40
TPSA81.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-propylamino]acetate with MolForge

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Related Compounds

N-[2-(2-methoxyanilino)-2-oxoethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)-N-propylacetamide
CID 25162663
methyl 3-[ethyl-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoate
CID 87020691
N,N-dimethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 672457
N-(2-hydroxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylethyl)acetamide
CID 111122153
N-ethyl-N-(4-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 20949216
N-(furan-2-ylmethyl)-N-(3-methylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 20949234
ethyl 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzoate
CID 4055331
phenyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 3605071
N-[(2-methylphenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 131897549
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 55476456
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4808848
2-carbazol-9-yl-N,N-dipropylacetamide
CID 14874688

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-propylamino]acetate?
The IUPAC name of ethyl 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-propylamino]acetate (CID 87020688) is ethyl 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-propylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-propylamino]acetate?
The canonical SMILES for ethyl 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-propylamino]acetate is CCCN(CC(=O)OCC)C(=O)Cn1c(=O)oc2ccccc21.
What is the InChIKey of ethyl 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-propylamino]acetate?
The InChIKey is DBGOUYCWTQVSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-3-9-17(11-15(20)22-4-2)14(19)10-18-12-7-5-6-8-13(12)23-16(18)21/h5-8H,3-4,9-11H2,1-2H3.
What are the key properties of ethyl 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-propylamino]acetate?
ethyl 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-propylamino]acetate has a molecular weight of 320.35 g/mol, XLogP of 1.40, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-propylamino]acetate is sourced from PubChem (CID 87020688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).