2-(5-chloro-2-fluorophenyl)-5-(6-imidazol-1-yl-3-pyridinyl)-1,3,4-oxadiazole

C16H9ClFN5O — CID 53183273

IUPAC2-(5-chloro-2-fluorophenyl)-5-(6-imidazol-1-yl-3-pyridinyl)-1,3,4-oxadiazole
SMILESFc1ccc(Cl)cc1-c1nnc(-c2ccc(-n3ccnc3)nc2)o1
InChIInChI=1S/C16H9ClFN5O/c17-11-2-3-13(18)12(7-11)16-22-21-15(24-16)10-1-4-14(20-8-10)23-6-5-19-9-23/h1-9H
InChIKeyRBIDDVUQTDIVGJ-UHFFFAOYSA-N
MW341.73 g/mol
LogP3.78
Rot. Bonds3

About 2-(5-chloro-2-fluorophenyl)-5-(6-imidazol-1-yl-3-pyridinyl)-1,3,4-oxadiazole

2-(5-chloro-2-fluorophenyl)-5-(6-imidazol-1-yl-3-pyridinyl)-1,3,4-oxadiazole (PubChem CID 53183273) has the molecular formula C16H9ClFN5O and a molecular weight of 341.73 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-5-(6-imidazol-1-yl-3-pyridinyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-5-(6-imidazol-1-yl-3-pyridinyl)-1,3,4-oxadiazole
PubChem CID53183273
Molecular FormulaC16H9ClFN5O
Molecular Weight341.73 g/mol
Exact Mass341.05
IUPAC Name2-(5-chloro-2-fluorophenyl)-5-(6-imidazol-1-yl-3-pyridinyl)-1,3,4-oxadiazole
SMILESFc1ccc(Cl)cc1-c1nnc(-c2ccc(-n3ccnc3)nc2)o1
InChIInChI=1S/C16H9ClFN5O/c17-11-2-3-13(18)12(7-11)16-22-21-15(24-16)10-1-4-14(20-8-10)23-6-5-19-9-23/h1-9H
InChIKeyRBIDDVUQTDIVGJ-UHFFFAOYSA-N
XLogP3.78
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.73
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-5-(6-imidazol-1-yl-3-pyridinyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-5-(6-imidazol-1-yl-3-pyridinyl)-1,3,4-oxadiazole (CID 53183273) is 2-(5-chloro-2-fluorophenyl)-5-(6-imidazol-1-yl-3-pyridinyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-5-(6-imidazol-1-yl-3-pyridinyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-5-(6-imidazol-1-yl-3-pyridinyl)-1,3,4-oxadiazole is Fc1ccc(Cl)cc1-c1nnc(-c2ccc(-n3ccnc3)nc2)o1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-5-(6-imidazol-1-yl-3-pyridinyl)-1,3,4-oxadiazole?
The InChIKey is RBIDDVUQTDIVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClFN5O/c17-11-2-3-13(18)12(7-11)16-22-21-15(24-16)10-1-4-14(20-8-10)23-6-5-19-9-23/h1-9H.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-5-(6-imidazol-1-yl-3-pyridinyl)-1,3,4-oxadiazole?
2-(5-chloro-2-fluorophenyl)-5-(6-imidazol-1-yl-3-pyridinyl)-1,3,4-oxadiazole has a molecular weight of 341.73 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-5-(6-imidazol-1-yl-3-pyridinyl)-1,3,4-oxadiazole is sourced from PubChem (CID 53183273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).