3-(azidomethyl)-4-methyl-1,2,5-oxadiazole

C4H5N5O — CID 58766277

IUPAC3-(azidomethyl)-4-methyl-1,2,5-oxadiazole
SMILESCc1nonc1CN=[N+]=[N-]
InChIInChI=1S/C4H5N5O/c1-3-4(2-6-9-5)8-10-7-3/h2H2,1H3
InChIKeyRQCHFGPUCXNOKX-UHFFFAOYSA-N
MW139.12 g/mol
LogP1.19
Rot. Bonds2

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

3-(azidomethyl)-4-methyl-1,2,5-oxadiazole (PubChem CID 58766277) has the molecular formula C4H5N5O and a molecular weight of 139.12 g/mol. Its IUPAC name is 3-(azidomethyl)-4-methyl-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-(azidomethyl)-4-methyl-1,2,5-oxadiazole
PubChem CID58766277
Molecular FormulaC4H5N5O
Molecular Weight139.12 g/mol
Exact Mass139.05
IUPAC Name3-(azidomethyl)-4-methyl-1,2,5-oxadiazole
SMILESCc1nonc1CN=[N+]=[N-]
InChIInChI=1S/C4H5N5O/c1-3-4(2-6-9-5)8-10-7-3/h2H2,1H3
InChIKeyRQCHFGPUCXNOKX-UHFFFAOYSA-N
XLogP1.19
TPSA87.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.12
LogP ≤ 51.19
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

(NE)-N-[2-azido-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylidene]hydroxylamine
CID 135580675
(NZ)-N-[2-azido-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylidene]hydroxylamine
CID 136647801
3-(azidomethyl)-5-tert-butyl-1,2,4-oxadiazole
CID 61372910
O-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]hydroxylamine
CID 79422234
3-[(4Z)-hexa-2,4-dienyl]-4-methyl-1,2,5-oxadiazole
CID 143344953
N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine
CID 5200352
2-(azidomethyl)-1,3,5-trimethylbenzene
CID 10631091
5-(azidomethyl)-3-methyl-4-phenyl-1,2-oxazole
CID 123950746
5-(azidomethyl)-4-ethyl-2,3-dimethylpyridine
CID 20786572
5-(azidomethyl)-3-propyl-1,2,4-oxadiazole
CID 61374395
2-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]guanidine
CID 131102017
(4-methyl-1,2,5-oxadiazol-3-yl)methylimino-oxo-phenyl-(trifluoromethyl)-λ6-sulfane
CID 126835818

Frequently Asked Questions

What is the IUPAC name of 3-(azidomethyl)-4-methyl-1,2,5-oxadiazole?
The IUPAC name of 3-(azidomethyl)-4-methyl-1,2,5-oxadiazole (CID 58766277) is 3-(azidomethyl)-4-methyl-1,2,5-oxadiazole.
What is the SMILES notation for 3-(azidomethyl)-4-methyl-1,2,5-oxadiazole?
The canonical SMILES for 3-(azidomethyl)-4-methyl-1,2,5-oxadiazole is Cc1nonc1CN=[N+]=[N-].
What is the InChIKey of 3-(azidomethyl)-4-methyl-1,2,5-oxadiazole?
The InChIKey is RQCHFGPUCXNOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N5O/c1-3-4(2-6-9-5)8-10-7-3/h2H2,1H3.
What are the key properties of 3-(azidomethyl)-4-methyl-1,2,5-oxadiazole?
3-(azidomethyl)-4-methyl-1,2,5-oxadiazole has a molecular weight of 139.12 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azidomethyl)-4-methyl-1,2,5-oxadiazole is sourced from PubChem (CID 58766277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).