5-(4-chlorophenyl)-N-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine

C14H9ClFN3O — CID 155807077

IUPAC5-(4-chlorophenyl)-N-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine
SMILESFc1ccc(Nc2nnc(-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C14H9ClFN3O/c15-10-3-1-9(2-4-10)13-18-19-14(20-13)17-12-7-5-11(16)6-8-12/h1-8H,(H,17,19)
InChIKeyORTVBPKNUFDRFG-UHFFFAOYSA-N
MW289.70 g/mol
LogP4.27
Rot. Bonds3

About 5-(4-chlorophenyl)-N-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine

5-(4-chlorophenyl)-N-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 155807077) has the molecular formula C14H9ClFN3O and a molecular weight of 289.70 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine
PubChem CID155807077
Molecular FormulaC14H9ClFN3O
Molecular Weight289.70 g/mol
Exact Mass289.04
IUPAC Name5-(4-chlorophenyl)-N-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine
SMILESFc1ccc(Nc2nnc(-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C14H9ClFN3O/c15-10-3-1-9(2-4-10)13-18-19-14(20-13)17-12-7-5-11(16)6-8-12/h1-8H,(H,17,19)
InChIKeyORTVBPKNUFDRFG-UHFFFAOYSA-N
XLogP4.27
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.70
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-N-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine (CID 155807077) is 5-(4-chlorophenyl)-N-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-N-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine is Fc1ccc(Nc2nnc(-c3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is ORTVBPKNUFDRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3O/c15-10-3-1-9(2-4-10)13-18-19-14(20-13)17-12-7-5-11(16)6-8-12/h1-8H,(H,17,19).
What are the key properties of 5-(4-chlorophenyl)-N-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine?
5-(4-chlorophenyl)-N-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 289.70 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 155807077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).