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

C6H8N2O3 — CID 115012127

IUPAC5-(aminomethyl)-4-methyl-1,3-oxazole-2-carboxylic acid
SMILESCc1nc(C(=O)O)oc1CN
InChIInChI=1S/C6H8N2O3/c1-3-4(2-7)11-5(8-3)6(9)10/h2,7H2,1H3,(H,9,10)
InChIKeyUSZUVAWFPCMMRG-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.14
Rot. Bonds2

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

5-(aminomethyl)-4-methyl-1,3-oxazole-2-carboxylic acid (PubChem CID 115012127) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 5-(aminomethyl)-4-methyl-1,3-oxazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(aminomethyl)-4-methyl-1,3-oxazole-2-carboxylic acid
PubChem CID115012127
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name5-(aminomethyl)-4-methyl-1,3-oxazole-2-carboxylic acid
SMILESCc1nc(C(=O)O)oc1CN
InChIInChI=1S/C6H8N2O3/c1-3-4(2-7)11-5(8-3)6(9)10/h2,7H2,1H3,(H,9,10)
InChIKeyUSZUVAWFPCMMRG-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 5-(aminomethyl)-4-methyl-1,3-oxazole-2-carboxylic acid?
The IUPAC name of 5-(aminomethyl)-4-methyl-1,3-oxazole-2-carboxylic acid (CID 115012127) is 5-(aminomethyl)-4-methyl-1,3-oxazole-2-carboxylic acid.
What is the SMILES notation for 5-(aminomethyl)-4-methyl-1,3-oxazole-2-carboxylic acid?
The canonical SMILES for 5-(aminomethyl)-4-methyl-1,3-oxazole-2-carboxylic acid is Cc1nc(C(=O)O)oc1CN.
What is the InChIKey of 5-(aminomethyl)-4-methyl-1,3-oxazole-2-carboxylic acid?
The InChIKey is USZUVAWFPCMMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-3-4(2-7)11-5(8-3)6(9)10/h2,7H2,1H3,(H,9,10).
What are the key properties of 5-(aminomethyl)-4-methyl-1,3-oxazole-2-carboxylic acid?
5-(aminomethyl)-4-methyl-1,3-oxazole-2-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 5-(aminomethyl)-4-methyl-1,3-oxazole-2-carboxylic acid is sourced from PubChem (CID 115012127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).