1-(2-chlorophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea

C15H11ClN4O2 — CID 5309939

IUPAC1-(2-chlorophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea
SMILESO=C(Nc1nnc(-c2ccccc2)o1)Nc1ccccc1Cl
InChIInChI=1S/C15H11ClN4O2/c16-11-8-4-5-9-12(11)17-14(21)18-15-20-19-13(22-15)10-6-2-1-3-7-10/h1-9H,(H2,17,18,20,21)
InChIKeyRJQFSJNGVSVHEZ-UHFFFAOYSA-N
MW314.73 g/mol
LogP4.03
Rot. Bonds3

About 1-(2-chlorophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea

1-(2-chlorophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea (PubChem CID 5309939) has the molecular formula C15H11ClN4O2 and a molecular weight of 314.73 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea
PubChem CID5309939
Molecular FormulaC15H11ClN4O2
Molecular Weight314.73 g/mol
Exact Mass314.06
IUPAC Name1-(2-chlorophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea
SMILESO=C(Nc1nnc(-c2ccccc2)o1)Nc1ccccc1Cl
InChIInChI=1S/C15H11ClN4O2/c16-11-8-4-5-9-12(11)17-14(21)18-15-20-19-13(22-15)10-6-2-1-3-7-10/h1-9H,(H2,17,18,20,21)
InChIKeyRJQFSJNGVSVHEZ-UHFFFAOYSA-N
XLogP4.03
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea?
The IUPAC name of 1-(2-chlorophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea (CID 5309939) is 1-(2-chlorophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea is O=C(Nc1nnc(-c2ccccc2)o1)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea?
The InChIKey is RJQFSJNGVSVHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O2/c16-11-8-4-5-9-12(11)17-14(21)18-15-20-19-13(22-15)10-6-2-1-3-7-10/h1-9H,(H2,17,18,20,21).
What are the key properties of 1-(2-chlorophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea?
1-(2-chlorophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea has a molecular weight of 314.73 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea is sourced from PubChem (CID 5309939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).