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

C6H8N2O3 — CID 71417182

IUPAC2-(aminomethyl)-5-methyl-1,3-oxazole-4-carboxylic acid
SMILESCc1oc(CN)nc1C(=O)O
InChIInChI=1S/C6H8N2O3/c1-3-5(6(9)10)8-4(2-7)11-3/h2,7H2,1H3,(H,9,10)
InChIKeyLRGOPKLRRPYNCL-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.14
Rot. Bonds2

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

2-(aminomethyl)-5-methyl-1,3-oxazole-4-carboxylic acid (PubChem CID 71417182) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 2-(aminomethyl)-5-methyl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(aminomethyl)-5-methyl-1,3-oxazole-4-carboxylic acid
PubChem CID71417182
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name2-(aminomethyl)-5-methyl-1,3-oxazole-4-carboxylic acid
SMILESCc1oc(CN)nc1C(=O)O
InChIInChI=1S/C6H8N2O3/c1-3-5(6(9)10)8-4(2-7)11-3/h2,7H2,1H3,(H,9,10)
InChIKeyLRGOPKLRRPYNCL-UHFFFAOYSA-N
XLogP0.14
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-methyl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(aminomethyl)-5-methyl-1,3-oxazole-4-carboxylic acid (CID 71417182) is 2-(aminomethyl)-5-methyl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(aminomethyl)-5-methyl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(aminomethyl)-5-methyl-1,3-oxazole-4-carboxylic acid is Cc1oc(CN)nc1C(=O)O.
What is the InChIKey of 2-(aminomethyl)-5-methyl-1,3-oxazole-4-carboxylic acid?
The InChIKey is LRGOPKLRRPYNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-3-5(6(9)10)8-4(2-7)11-3/h2,7H2,1H3,(H,9,10).
What are the key properties of 2-(aminomethyl)-5-methyl-1,3-oxazole-4-carboxylic acid?
2-(aminomethyl)-5-methyl-1,3-oxazole-4-carboxylic acid has a molecular weight of 156.14 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-methyl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 71417182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).