ethyl 2-[[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]amino]acetate

C13H16N4O4 — CID 17024990

IUPACethyl 2-[[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)c1cc(-c2cnn(C)c2C)on1
InChIInChI=1S/C13H16N4O4/c1-4-20-12(18)7-14-13(19)10-5-11(21-16-10)9-6-15-17(3)8(9)2/h5-6H,4,7H2,1-3H3,(H,14,19)
InChIKeyKMQRTIKHTAXNKG-UHFFFAOYSA-N
MW292.30 g/mol
LogP0.68
Rot. Bonds5

About ethyl 2-[[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]amino]acetate

ethyl 2-[[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]amino]acetate (PubChem CID 17024990) has the molecular formula C13H16N4O4 and a molecular weight of 292.30 g/mol. Its IUPAC name is ethyl 2-[[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]amino]acetate
PubChem CID17024990
Molecular FormulaC13H16N4O4
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Nameethyl 2-[[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)c1cc(-c2cnn(C)c2C)on1
InChIInChI=1S/C13H16N4O4/c1-4-20-12(18)7-14-13(19)10-5-11(21-16-10)9-6-15-17(3)8(9)2/h5-6H,4,7H2,1-3H3,(H,14,19)
InChIKeyKMQRTIKHTAXNKG-UHFFFAOYSA-N
XLogP0.68
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]amino]acetate (CID 17024990) is ethyl 2-[[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]amino]acetate is CCOC(=O)CNC(=O)c1cc(-c2cnn(C)c2C)on1.
What is the InChIKey of ethyl 2-[[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]amino]acetate?
The InChIKey is KMQRTIKHTAXNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-4-20-12(18)7-14-13(19)10-5-11(21-16-10)9-6-15-17(3)8(9)2/h5-6H,4,7H2,1-3H3,(H,14,19).
What are the key properties of ethyl 2-[[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]amino]acetate?
ethyl 2-[[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]amino]acetate has a molecular weight of 292.30 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]amino]acetate is sourced from PubChem (CID 17024990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).