ethyl 2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]carbamoylamino]acetate

C15H18N4O5 — CID 2127533

IUPACethyl 2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)Nc1nnc(-c2ccc(OCC)cc2)o1
InChIInChI=1S/C15H18N4O5/c1-3-22-11-7-5-10(6-8-11)13-18-19-15(24-13)17-14(21)16-9-12(20)23-4-2/h5-8H,3-4,9H2,1-2H3,(H2,16,17,19,21)
InChIKeyMAGMTQYKSCVBCL-UHFFFAOYSA-N
MW334.33 g/mol
LogP1.82
Rot. Bonds7

About ethyl 2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]carbamoylamino]acetate

ethyl 2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]carbamoylamino]acetate (PubChem CID 2127533) has the molecular formula C15H18N4O5 and a molecular weight of 334.33 g/mol. Its IUPAC name is ethyl 2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]carbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]carbamoylamino]acetate
PubChem CID2127533
Molecular FormulaC15H18N4O5
Molecular Weight334.33 g/mol
Exact Mass334.13
IUPAC Nameethyl 2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)Nc1nnc(-c2ccc(OCC)cc2)o1
InChIInChI=1S/C15H18N4O5/c1-3-22-11-7-5-10(6-8-11)13-18-19-15(24-13)17-14(21)16-9-12(20)23-4-2/h5-8H,3-4,9H2,1-2H3,(H2,16,17,19,21)
InChIKeyMAGMTQYKSCVBCL-UHFFFAOYSA-N
XLogP1.82
TPSA115.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]carbamoylamino]acetate?
The IUPAC name of ethyl 2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]carbamoylamino]acetate (CID 2127533) is ethyl 2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]carbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]carbamoylamino]acetate?
The canonical SMILES for ethyl 2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]carbamoylamino]acetate is CCOC(=O)CNC(=O)Nc1nnc(-c2ccc(OCC)cc2)o1.
What is the InChIKey of ethyl 2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]carbamoylamino]acetate?
The InChIKey is MAGMTQYKSCVBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O5/c1-3-22-11-7-5-10(6-8-11)13-18-19-15(24-13)17-14(21)16-9-12(20)23-4-2/h5-8H,3-4,9H2,1-2H3,(H2,16,17,19,21).
What are the key properties of ethyl 2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]carbamoylamino]acetate?
ethyl 2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]carbamoylamino]acetate has a molecular weight of 334.33 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]carbamoylamino]acetate is sourced from PubChem (CID 2127533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).