ethyl 2-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]propanoate

C14H20N6O4 — CID 119104985

IUPACethyl 2-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]propanoate
SMILESCCOC(=O)C(C)NC(=O)NCc1nc(-c2cnn(CC)c2)no1
InChIInChI=1S/C14H20N6O4/c1-4-20-8-10(6-16-20)12-18-11(24-19-12)7-15-14(22)17-9(3)13(21)23-5-2/h6,8-9H,4-5,7H2,1-3H3,(H2,15,17,22)
InChIKeyNNPTUXATYFDSPX-UHFFFAOYSA-N
MW336.35 g/mol
LogP0.70
Rot. Bonds7

About ethyl 2-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]propanoate

ethyl 2-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]propanoate (PubChem CID 119104985) has the molecular formula C14H20N6O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is ethyl 2-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]propanoate
PubChem CID119104985
Molecular FormulaC14H20N6O4
Molecular Weight336.35 g/mol
Exact Mass336.15
IUPAC Nameethyl 2-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]propanoate
SMILESCCOC(=O)C(C)NC(=O)NCc1nc(-c2cnn(CC)c2)no1
InChIInChI=1S/C14H20N6O4/c1-4-20-8-10(6-16-20)12-18-11(24-19-12)7-15-14(22)17-9(3)13(21)23-5-2/h6,8-9H,4-5,7H2,1-3H3,(H2,15,17,22)
InChIKeyNNPTUXATYFDSPX-UHFFFAOYSA-N
XLogP0.70
TPSA124.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]propanoate?
The IUPAC name of ethyl 2-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]propanoate (CID 119104985) is ethyl 2-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]propanoate.
What is the SMILES notation for ethyl 2-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]propanoate?
The canonical SMILES for ethyl 2-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]propanoate is CCOC(=O)C(C)NC(=O)NCc1nc(-c2cnn(CC)c2)no1.
What is the InChIKey of ethyl 2-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]propanoate?
The InChIKey is NNPTUXATYFDSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O4/c1-4-20-8-10(6-16-20)12-18-11(24-19-12)7-15-14(22)17-9(3)13(21)23-5-2/h6,8-9H,4-5,7H2,1-3H3,(H2,15,17,22).
What are the key properties of ethyl 2-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]propanoate?
ethyl 2-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]propanoate has a molecular weight of 336.35 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]propanoate is sourced from PubChem (CID 119104985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).