4-(azidomethyl)-5-cyclopropyl-1,3-oxazole

C7H8N4O — CID 138376786

IUPAC4-(azidomethyl)-5-cyclopropyl-1,3-oxazole
SMILES[N-]=[N+]=NCc1ncoc1C1CC1
InChIInChI=1S/C7H8N4O/c8-11-10-3-6-7(5-1-2-5)12-4-9-6/h4-5H,1-3H2
InChIKeyNGGUUYXSTPAWQZ-UHFFFAOYSA-N
MW164.17 g/mol
LogP2.36
Rot. Bonds3

About 4-(azidomethyl)-5-cyclopropyl-1,3-oxazole

4-(azidomethyl)-5-cyclopropyl-1,3-oxazole (PubChem CID 138376786) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 4-(azidomethyl)-5-cyclopropyl-1,3-oxazole.

Molecular Properties

Compound Name4-(azidomethyl)-5-cyclopropyl-1,3-oxazole
PubChem CID138376786
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name4-(azidomethyl)-5-cyclopropyl-1,3-oxazole
SMILES[N-]=[N+]=NCc1ncoc1C1CC1
InChIInChI=1S/C7H8N4O/c8-11-10-3-6-7(5-1-2-5)12-4-9-6/h4-5H,1-3H2
InChIKeyNGGUUYXSTPAWQZ-UHFFFAOYSA-N
XLogP2.36
TPSA74.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 52.36
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 4-(azidomethyl)-5-cyclopropyl-1,3-oxazole?
The IUPAC name of 4-(azidomethyl)-5-cyclopropyl-1,3-oxazole (CID 138376786) is 4-(azidomethyl)-5-cyclopropyl-1,3-oxazole.
What is the SMILES notation for 4-(azidomethyl)-5-cyclopropyl-1,3-oxazole?
The canonical SMILES for 4-(azidomethyl)-5-cyclopropyl-1,3-oxazole is [N-]=[N+]=NCc1ncoc1C1CC1.
What is the InChIKey of 4-(azidomethyl)-5-cyclopropyl-1,3-oxazole?
The InChIKey is NGGUUYXSTPAWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c8-11-10-3-6-7(5-1-2-5)12-4-9-6/h4-5H,1-3H2.
What are the key properties of 4-(azidomethyl)-5-cyclopropyl-1,3-oxazole?
4-(azidomethyl)-5-cyclopropyl-1,3-oxazole has a molecular weight of 164.17 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-5-cyclopropyl-1,3-oxazole is sourced from PubChem (CID 138376786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).