2-(azidomethyl)-1,3-oxazole-5-carboxylic acid

C5H4N4O3 — CID 118453597

IUPAC2-(azidomethyl)-1,3-oxazole-5-carboxylic acid
SMILES[N-]=[N+]=NCc1ncc(C(=O)O)o1
InChIInChI=1S/C5H4N4O3/c6-9-8-2-4-7-1-3(12-4)5(10)11/h1H,2H2,(H,10,11)
InChIKeyBDCODFKMRASABA-UHFFFAOYSA-N
MW168.11 g/mol
LogP1.18
Rot. Bonds3

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

2-(azidomethyl)-1,3-oxazole-5-carboxylic acid (PubChem CID 118453597) has the molecular formula C5H4N4O3 and a molecular weight of 168.11 g/mol. Its IUPAC name is 2-(azidomethyl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(azidomethyl)-1,3-oxazole-5-carboxylic acid
PubChem CID118453597
Molecular FormulaC5H4N4O3
Molecular Weight168.11 g/mol
Exact Mass168.03
IUPAC Name2-(azidomethyl)-1,3-oxazole-5-carboxylic acid
SMILES[N-]=[N+]=NCc1ncc(C(=O)O)o1
InChIInChI=1S/C5H4N4O3/c6-9-8-2-4-7-1-3(12-4)5(10)11/h1H,2H2,(H,10,11)
InChIKeyBDCODFKMRASABA-UHFFFAOYSA-N
XLogP1.18
TPSA112.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.11
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-(bromomethyl)-1,3-oxazole-5-carboxylic acid
CID 118453580
2-(azidomethyl)-5-(2,4,5-trimethylphenyl)-1,3-oxazole
CID 121205140
2-(furan-2-ylmethyl)-1,3-oxazole-5-carboxylic acid
CID 82402388
2-(azidomethyl)-5-(2-chlorophenyl)-1,3-oxazole
CID 121205153
2-[(2-bromophenyl)methyl]-1,3-oxazole-5-carboxylic acid
CID 82378595
5-(azidomethyl)benzene-1,3-dicarbonyl chloride
CID 91250095
4-(azidomethyl)thiophene-3-carboxylic acid
CID 20619273
2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-oxazole-5-carboxylic acid
CID 170910216
5-(azidomethyl)-2-bromopyridine
CID 151178829
2-(2-methyl-2-prop-2-enoyloxypropyl)-1,3-oxazole-5-carboxylic acid
CID 174850049
1-[6-(azidomethyl)-3-pyridinyl]ethanone
CID 118052846
2-(dichloromethyl)-1,3-oxazole-5-carboxylic acid
CID 127020814

Frequently Asked Questions

What is the IUPAC name of 2-(azidomethyl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(azidomethyl)-1,3-oxazole-5-carboxylic acid (CID 118453597) is 2-(azidomethyl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(azidomethyl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(azidomethyl)-1,3-oxazole-5-carboxylic acid is [N-]=[N+]=NCc1ncc(C(=O)O)o1.
What is the InChIKey of 2-(azidomethyl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is BDCODFKMRASABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4O3/c6-9-8-2-4-7-1-3(12-4)5(10)11/h1H,2H2,(H,10,11).
What are the key properties of 2-(azidomethyl)-1,3-oxazole-5-carboxylic acid?
2-(azidomethyl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 168.11 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 118453597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).