1-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)urea

C15H9Cl2FN4O2 — CID 52906592

IUPAC1-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1)Nc1nnc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C15H9Cl2FN4O2/c16-8-1-6-11(12(17)7-8)13-21-22-15(24-13)20-14(23)19-10-4-2-9(18)3-5-10/h1-7H,(H2,19,20,22,23)
InChIKeyAHDOYSCKFXACBY-UHFFFAOYSA-N
MW367.17 g/mol
LogP4.83
Rot. Bonds3

About 1-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)urea

1-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)urea (PubChem CID 52906592) has the molecular formula C15H9Cl2FN4O2 and a molecular weight of 367.17 g/mol. Its IUPAC name is 1-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)urea
PubChem CID52906592
Molecular FormulaC15H9Cl2FN4O2
Molecular Weight367.17 g/mol
Exact Mass366.01
IUPAC Name1-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1)Nc1nnc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C15H9Cl2FN4O2/c16-8-1-6-11(12(17)7-8)13-21-22-15(24-13)20-14(23)19-10-4-2-9(18)3-5-10/h1-7H,(H2,19,20,22,23)
InChIKeyAHDOYSCKFXACBY-UHFFFAOYSA-N
XLogP4.83
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.17
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)urea (CID 52906592) is 1-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)urea is O=C(Nc1ccc(F)cc1)Nc1nnc(-c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of 1-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)urea?
The InChIKey is AHDOYSCKFXACBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2FN4O2/c16-8-1-6-11(12(17)7-8)13-21-22-15(24-13)20-14(23)19-10-4-2-9(18)3-5-10/h1-7H,(H2,19,20,22,23).
What are the key properties of 1-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)urea?
1-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)urea has a molecular weight of 367.17 g/mol, XLogP of 4.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 52906592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).