5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid

C10H11N3O4 — CID 103243727

IUPAC5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid
SMILESCc1cc(CNCc2cc(C(=O)O)no2)no1
InChIInChI=1S/C10H11N3O4/c1-6-2-7(12-16-6)4-11-5-8-3-9(10(14)15)13-17-8/h2-3,11H,4-5H2,1H3,(H,14,15)
InChIKeyVFICKFFOCYAJML-UHFFFAOYSA-N
MW237.22 g/mol
LogP0.96
Rot. Bonds5

About 5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid

5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 103243727) has the molecular formula C10H11N3O4 and a molecular weight of 237.22 g/mol. Its IUPAC name is 5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID103243727
Molecular FormulaC10H11N3O4
Molecular Weight237.22 g/mol
Exact Mass237.07
IUPAC Name5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid
SMILESCc1cc(CNCc2cc(C(=O)O)no2)no1
InChIInChI=1S/C10H11N3O4/c1-6-2-7(12-16-6)4-11-5-8-3-9(10(14)15)13-17-8/h2-3,11H,4-5H2,1H3,(H,14,15)
InChIKeyVFICKFFOCYAJML-UHFFFAOYSA-N
XLogP0.96
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103243341
5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]furan-3-carboxylic acid
CID 104608825
5-[(2-hydroxyethylamino)methyl]-1,2-oxazole-3-carboxylic acid
CID 103238258
5-[(pyridazin-3-ylmethylamino)methyl]-1,2-oxazole-3-carboxylic acid
CID 106896708
6-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904607
5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103264279
(E)-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]but-2-enoic acid
CID 103243708
5-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103238431
4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]pyrimidine-5-carboxylic acid
CID 103243699
5-[(4-hydroxybutylamino)methyl]-1,2-oxazole-3-carboxylic acid
CID 106842840
5-[[(2-methylpropan-2-yl)oxyamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103261415
N,N-dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]acetamide
CID 60698204

Frequently Asked Questions

What is the IUPAC name of 5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid (CID 103243727) is 5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid is Cc1cc(CNCc2cc(C(=O)O)no2)no1.
What is the InChIKey of 5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is VFICKFFOCYAJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c1-6-2-7(12-16-6)4-11-5-8-3-9(10(14)15)13-17-8/h2-3,11H,4-5H2,1H3,(H,14,15).
What are the key properties of 5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid?
5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 237.22 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 103243727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).