2-(4-azidobutyl)-1,3-oxazole

C7H10N4O — CID 121437428

IUPAC2-(4-azidobutyl)-1,3-oxazole
SMILES[N-]=[N+]=NCCCCc1ncco1
InChIInChI=1S/C7H10N4O/c8-11-10-4-2-1-3-7-9-5-6-12-7/h5-6H,1-4H2
InChIKeyPQUNXYHFKUYCAC-UHFFFAOYSA-N
MW166.18 g/mol
LogP2.31
Rot. Bonds5

About 2-(4-azidobutyl)-1,3-oxazole

2-(4-azidobutyl)-1,3-oxazole (PubChem CID 121437428) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-(4-azidobutyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(4-azidobutyl)-1,3-oxazole
PubChem CID121437428
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name2-(4-azidobutyl)-1,3-oxazole
SMILES[N-]=[N+]=NCCCCc1ncco1
InChIInChI=1S/C7H10N4O/c8-11-10-4-2-1-3-7-9-5-6-12-7/h5-6H,1-4H2
InChIKeyPQUNXYHFKUYCAC-UHFFFAOYSA-N
XLogP2.31
TPSA74.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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

(1R)-3-azido-1-(1,3-oxazol-2-yl)propan-1-ol
CID 90713372
1,14-diazidotetradecane
CID 146463967
N-(14-azidotetradecyl)pyrimidin-2-amine
CID 71236675
N-(9-azidononyl)pyrimidin-2-amine
CID 71236787
1-(4-azidobutyl)-4-bromobenzene
CID 151024491
2-(4-azidobutoxy)-3-decylpyrazine
CID 10616667
2-[2-(4-bromophenyl)ethyl]-1,3-oxazole
CID 82481392
3-(1,3-oxazol-2-yl)propan-1-ol;quinoline
CID 175325233
2-(1,3-oxazol-2-ylmethyl)guanidine
CID 141427084
2-(1,3-oxazol-2-yl)ethane-1,1-diamine
CID 67834564
tert-butyl 4-(4-azidobutyl)imidazole-1-carboxylate
CID 51355162
4-azidobutyl(triphenyl)phosphanium iodide
CID 170316714

Frequently Asked Questions

What is the IUPAC name of 2-(4-azidobutyl)-1,3-oxazole?
The IUPAC name of 2-(4-azidobutyl)-1,3-oxazole (CID 121437428) is 2-(4-azidobutyl)-1,3-oxazole.
What is the SMILES notation for 2-(4-azidobutyl)-1,3-oxazole?
The canonical SMILES for 2-(4-azidobutyl)-1,3-oxazole is [N-]=[N+]=NCCCCc1ncco1.
What is the InChIKey of 2-(4-azidobutyl)-1,3-oxazole?
The InChIKey is PQUNXYHFKUYCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c8-11-10-4-2-1-3-7-9-5-6-12-7/h5-6H,1-4H2.
What are the key properties of 2-(4-azidobutyl)-1,3-oxazole?
2-(4-azidobutyl)-1,3-oxazole has a molecular weight of 166.18 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-azidobutyl)-1,3-oxazole is sourced from PubChem (CID 121437428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).