2-(2-azido-5-chloro-3-pyridinyl)-5-ethyl-1,3-oxazole

C10H8ClN5O — CID 141150869

IUPAC2-(2-azido-5-chloro-3-pyridinyl)-5-ethyl-1,3-oxazole
SMILESCCc1cnc(-c2cc(Cl)cnc2N=[N+]=[N-])o1
InChIInChI=1S/C10H8ClN5O/c1-2-7-5-14-10(17-7)8-3-6(11)4-13-9(8)15-16-12/h3-5H,2H2,1H3
InChIKeyUQTCMAVZRNLDAC-UHFFFAOYSA-N
MW249.66 g/mol
LogP3.89
Rot. Bonds3

About 2-(2-azido-5-chloro-3-pyridinyl)-5-ethyl-1,3-oxazole

2-(2-azido-5-chloro-3-pyridinyl)-5-ethyl-1,3-oxazole (PubChem CID 141150869) has the molecular formula C10H8ClN5O and a molecular weight of 249.66 g/mol. Its IUPAC name is 2-(2-azido-5-chloro-3-pyridinyl)-5-ethyl-1,3-oxazole.

Molecular Properties

Compound Name2-(2-azido-5-chloro-3-pyridinyl)-5-ethyl-1,3-oxazole
PubChem CID141150869
Molecular FormulaC10H8ClN5O
Molecular Weight249.66 g/mol
Exact Mass249.04
IUPAC Name2-(2-azido-5-chloro-3-pyridinyl)-5-ethyl-1,3-oxazole
SMILESCCc1cnc(-c2cc(Cl)cnc2N=[N+]=[N-])o1
InChIInChI=1S/C10H8ClN5O/c1-2-7-5-14-10(17-7)8-3-6(11)4-13-9(8)15-16-12/h3-5H,2H2,1H3
InChIKeyUQTCMAVZRNLDAC-UHFFFAOYSA-N
XLogP3.89
TPSA87.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.66
LogP ≤ 53.89
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-azido-5-chloro-3-pyridinyl)-5-ethyl-1,3-oxazole?
The IUPAC name of 2-(2-azido-5-chloro-3-pyridinyl)-5-ethyl-1,3-oxazole (CID 141150869) is 2-(2-azido-5-chloro-3-pyridinyl)-5-ethyl-1,3-oxazole.
What is the SMILES notation for 2-(2-azido-5-chloro-3-pyridinyl)-5-ethyl-1,3-oxazole?
The canonical SMILES for 2-(2-azido-5-chloro-3-pyridinyl)-5-ethyl-1,3-oxazole is CCc1cnc(-c2cc(Cl)cnc2N=[N+]=[N-])o1.
What is the InChIKey of 2-(2-azido-5-chloro-3-pyridinyl)-5-ethyl-1,3-oxazole?
The InChIKey is UQTCMAVZRNLDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN5O/c1-2-7-5-14-10(17-7)8-3-6(11)4-13-9(8)15-16-12/h3-5H,2H2,1H3.
What are the key properties of 2-(2-azido-5-chloro-3-pyridinyl)-5-ethyl-1,3-oxazole?
2-(2-azido-5-chloro-3-pyridinyl)-5-ethyl-1,3-oxazole has a molecular weight of 249.66 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azido-5-chloro-3-pyridinyl)-5-ethyl-1,3-oxazole is sourced from PubChem (CID 141150869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).