5-methyl-1,2-oxazole-3-carbonyl azide

C5H4N4O2 — CID 14662560

IUPAC5-methyl-1,2-oxazole-3-carbonyl azide
SMILESCc1cc(C(=O)N=[N+]=[N-])no1
InChIInChI=1S/C5H4N4O2/c1-3-2-4(8-11-3)5(10)7-9-6/h2H,1H3
InChIKeyUIHRXBNYNLPLIS-UHFFFAOYSA-N
MW152.11 g/mol
LogP1.43
Rot. Bonds1

About 5-methyl-1,2-oxazole-3-carbonyl azide

5-methyl-1,2-oxazole-3-carbonyl azide (PubChem CID 14662560) has the molecular formula C5H4N4O2 and a molecular weight of 152.11 g/mol. Its IUPAC name is 5-methyl-1,2-oxazole-3-carbonyl azide.

Molecular Properties

Compound Name5-methyl-1,2-oxazole-3-carbonyl azide
PubChem CID14662560
Molecular FormulaC5H4N4O2
Molecular Weight152.11 g/mol
Exact Mass152.03
IUPAC Name5-methyl-1,2-oxazole-3-carbonyl azide
SMILESCc1cc(C(=O)N=[N+]=[N-])no1
InChIInChI=1S/C5H4N4O2/c1-3-2-4(8-11-3)5(10)7-9-6/h2H,1H3
InChIKeyUIHRXBNYNLPLIS-UHFFFAOYSA-N
XLogP1.43
TPSA91.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.11
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,2-oxazole-3-carbonyl azide?
The IUPAC name of 5-methyl-1,2-oxazole-3-carbonyl azide (CID 14662560) is 5-methyl-1,2-oxazole-3-carbonyl azide.
What is the SMILES notation for 5-methyl-1,2-oxazole-3-carbonyl azide?
The canonical SMILES for 5-methyl-1,2-oxazole-3-carbonyl azide is Cc1cc(C(=O)N=[N+]=[N-])no1.
What is the InChIKey of 5-methyl-1,2-oxazole-3-carbonyl azide?
The InChIKey is UIHRXBNYNLPLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4O2/c1-3-2-4(8-11-3)5(10)7-9-6/h2H,1H3.
What are the key properties of 5-methyl-1,2-oxazole-3-carbonyl azide?
5-methyl-1,2-oxazole-3-carbonyl azide has a molecular weight of 152.11 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,2-oxazole-3-carbonyl azide is sourced from PubChem (CID 14662560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).