3-(azidomethyl)-5-tert-butyl-1,2,4-oxadiazole

C7H11N5O — CID 61372910

IUPAC3-(azidomethyl)-5-tert-butyl-1,2,4-oxadiazole
SMILESCC(C)(C)c1nc(CN=[N+]=[N-])no1
InChIInChI=1S/C7H11N5O/c1-7(2,3)6-10-5(11-13-6)4-9-12-8/h4H2,1-3H3
InChIKeyMJVNPCAHHGTUSZ-UHFFFAOYSA-N
MW181.20 g/mol
LogP2.18
Rot. Bonds2

About 3-(azidomethyl)-5-tert-butyl-1,2,4-oxadiazole

3-(azidomethyl)-5-tert-butyl-1,2,4-oxadiazole (PubChem CID 61372910) has the molecular formula C7H11N5O and a molecular weight of 181.20 g/mol. Its IUPAC name is 3-(azidomethyl)-5-tert-butyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(azidomethyl)-5-tert-butyl-1,2,4-oxadiazole
PubChem CID61372910
Molecular FormulaC7H11N5O
Molecular Weight181.20 g/mol
Exact Mass181.10
IUPAC Name3-(azidomethyl)-5-tert-butyl-1,2,4-oxadiazole
SMILESCC(C)(C)c1nc(CN=[N+]=[N-])no1
InChIInChI=1S/C7H11N5O/c1-7(2,3)6-10-5(11-13-6)4-9-12-8/h4H2,1-3H3
InChIKeyMJVNPCAHHGTUSZ-UHFFFAOYSA-N
XLogP2.18
TPSA87.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.18
H-Bond Donors ≤ 50
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

CID 54594201
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CID 17604983
CID 17604983
CID 28063156
CID 28063156
CID 28063889
CID 28063889
CID 136058150
CID 136058150
CID 17604993
CID 17604993
CID 17604994
CID 17604994
CID 51086501
CID 51086501
CID 46736960
CID 46736960
CID 53398866
CID 53398866
CID 10606920
CID 10606920
CID 10654277
CID 10654277

Frequently Asked Questions

What is the IUPAC name of 3-(azidomethyl)-5-tert-butyl-1,2,4-oxadiazole?
The IUPAC name of 3-(azidomethyl)-5-tert-butyl-1,2,4-oxadiazole (CID 61372910) is 3-(azidomethyl)-5-tert-butyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(azidomethyl)-5-tert-butyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(azidomethyl)-5-tert-butyl-1,2,4-oxadiazole is CC(C)(C)c1nc(CN=[N+]=[N-])no1.
What is the InChIKey of 3-(azidomethyl)-5-tert-butyl-1,2,4-oxadiazole?
The InChIKey is MJVNPCAHHGTUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O/c1-7(2,3)6-10-5(11-13-6)4-9-12-8/h4H2,1-3H3.
What are the key properties of 3-(azidomethyl)-5-tert-butyl-1,2,4-oxadiazole?
3-(azidomethyl)-5-tert-butyl-1,2,4-oxadiazole has a molecular weight of 181.20 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azidomethyl)-5-tert-butyl-1,2,4-oxadiazole is sourced from PubChem (CID 61372910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).