4-(azidomethyl)-5-propan-2-yl-1,3-oxazole

C7H10N4O — CID 138376782

IUPAC4-(azidomethyl)-5-propan-2-yl-1,3-oxazole
SMILESCC(C)c1ocnc1CN=[N+]=[N-]
InChIInChI=1S/C7H10N4O/c1-5(2)7-6(3-10-11-8)9-4-12-7/h4-5H,3H2,1-2H3
InChIKeyCJMBNMSBRJDOBK-UHFFFAOYSA-N
MW166.18 g/mol
LogP2.61
Rot. Bonds3

About 4-(azidomethyl)-5-propan-2-yl-1,3-oxazole

4-(azidomethyl)-5-propan-2-yl-1,3-oxazole (PubChem CID 138376782) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 4-(azidomethyl)-5-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-(azidomethyl)-5-propan-2-yl-1,3-oxazole
PubChem CID138376782
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name4-(azidomethyl)-5-propan-2-yl-1,3-oxazole
SMILESCC(C)c1ocnc1CN=[N+]=[N-]
InChIInChI=1S/C7H10N4O/c1-5(2)7-6(3-10-11-8)9-4-12-7/h4-5H,3H2,1-2H3
InChIKeyCJMBNMSBRJDOBK-UHFFFAOYSA-N
XLogP2.61
TPSA74.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 52.61
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-propan-2-yl-1,3-oxazole?
The IUPAC name of 4-(azidomethyl)-5-propan-2-yl-1,3-oxazole (CID 138376782) is 4-(azidomethyl)-5-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 4-(azidomethyl)-5-propan-2-yl-1,3-oxazole?
The canonical SMILES for 4-(azidomethyl)-5-propan-2-yl-1,3-oxazole is CC(C)c1ocnc1CN=[N+]=[N-].
What is the InChIKey of 4-(azidomethyl)-5-propan-2-yl-1,3-oxazole?
The InChIKey is CJMBNMSBRJDOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c1-5(2)7-6(3-10-11-8)9-4-12-7/h4-5H,3H2,1-2H3.
What are the key properties of 4-(azidomethyl)-5-propan-2-yl-1,3-oxazole?
4-(azidomethyl)-5-propan-2-yl-1,3-oxazole has a molecular weight of 166.18 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-5-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 138376782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).