5-ethyl-3-(3-methylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid

C10H11N3O3 — CID 66116656

IUPAC5-ethyl-3-(3-methylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid
SMILESCCc1onc(-c2cncn2C)c1C(=O)O
InChIInChI=1S/C10H11N3O3/c1-3-7-8(10(14)15)9(12-16-7)6-4-11-5-13(6)2/h4-5H,3H2,1-2H3,(H,14,15)
InChIKeyPLSLYXSTKVOVRU-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.34
Rot. Bonds3

About 5-ethyl-3-(3-methylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid

5-ethyl-3-(3-methylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid (PubChem CID 66116656) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 5-ethyl-3-(3-methylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-3-(3-methylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid
PubChem CID66116656
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name5-ethyl-3-(3-methylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid
SMILESCCc1onc(-c2cncn2C)c1C(=O)O
InChIInChI=1S/C10H11N3O3/c1-3-7-8(10(14)15)9(12-16-7)6-4-11-5-13(6)2/h4-5H,3H2,1-2H3,(H,14,15)
InChIKeyPLSLYXSTKVOVRU-UHFFFAOYSA-N
XLogP1.34
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(3-methylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-ethyl-3-(3-methylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid (CID 66116656) is 5-ethyl-3-(3-methylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-ethyl-3-(3-methylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-ethyl-3-(3-methylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid is CCc1onc(-c2cncn2C)c1C(=O)O.
What is the InChIKey of 5-ethyl-3-(3-methylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is PLSLYXSTKVOVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-3-7-8(10(14)15)9(12-16-7)6-4-11-5-13(6)2/h4-5H,3H2,1-2H3,(H,14,15).
What are the key properties of 5-ethyl-3-(3-methylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid?
5-ethyl-3-(3-methylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid has a molecular weight of 221.22 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(3-methylimidazol-4-yl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 66116656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).