5-(2-aminoethyl)-1,3-oxazole-4-carboxylic acid

C6H8N2O3 — CID 117275266

IUPAC5-(2-aminoethyl)-1,3-oxazole-4-carboxylic acid
SMILESNCCc1ocnc1C(=O)O
InChIInChI=1S/C6H8N2O3/c7-2-1-4-5(6(9)10)8-3-11-4/h3H,1-2,7H2,(H,9,10)
InChIKeyCSVRKHXIMPDNTM-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.13
Rot. Bonds3

About 5-(2-aminoethyl)-1,3-oxazole-4-carboxylic acid

5-(2-aminoethyl)-1,3-oxazole-4-carboxylic acid (PubChem CID 117275266) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 5-(2-aminoethyl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-aminoethyl)-1,3-oxazole-4-carboxylic acid
PubChem CID117275266
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name5-(2-aminoethyl)-1,3-oxazole-4-carboxylic acid
SMILESNCCc1ocnc1C(=O)O
InChIInChI=1S/C6H8N2O3/c7-2-1-4-5(6(9)10)8-3-11-4/h3H,1-2,7H2,(H,9,10)
InChIKeyCSVRKHXIMPDNTM-UHFFFAOYSA-N
XLogP-0.13
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-(2-aminoethyl)-1,3-oxazole-4-carboxylic acid (CID 117275266) is 5-(2-aminoethyl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-aminoethyl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(2-aminoethyl)-1,3-oxazole-4-carboxylic acid is NCCc1ocnc1C(=O)O.
What is the InChIKey of 5-(2-aminoethyl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is CSVRKHXIMPDNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c7-2-1-4-5(6(9)10)8-3-11-4/h3H,1-2,7H2,(H,9,10).
What are the key properties of 5-(2-aminoethyl)-1,3-oxazole-4-carboxylic acid?
5-(2-aminoethyl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 156.14 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 117275266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).