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

C15H10Cl2N4O2 — CID 2127565

IUPAC1-(2-chlorophenyl)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]urea
SMILESO=C(Nc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccccc1Cl
InChIInChI=1S/C15H10Cl2N4O2/c16-10-7-5-9(6-8-10)13-20-21-15(23-13)19-14(22)18-12-4-2-1-3-11(12)17/h1-8H,(H2,18,19,21,22)
InChIKeyMHXWXEHTZKRXOU-UHFFFAOYSA-N
MW349.18 g/mol
LogP4.69
Rot. Bonds3

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

1-(2-chlorophenyl)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]urea (PubChem CID 2127565) has the molecular formula C15H10Cl2N4O2 and a molecular weight of 349.18 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]urea
PubChem CID2127565
Molecular FormulaC15H10Cl2N4O2
Molecular Weight349.18 g/mol
Exact Mass348.02
IUPAC Name1-(2-chlorophenyl)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]urea
SMILESO=C(Nc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccccc1Cl
InChIInChI=1S/C15H10Cl2N4O2/c16-10-7-5-9(6-8-10)13-20-21-15(23-13)19-14(22)18-12-4-2-1-3-11(12)17/h1-8H,(H2,18,19,21,22)
InChIKeyMHXWXEHTZKRXOU-UHFFFAOYSA-N
XLogP4.69
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 54.69
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-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]urea (CID 2127565) is 1-(2-chlorophenyl)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]urea is O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]urea?
The InChIKey is MHXWXEHTZKRXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N4O2/c16-10-7-5-9(6-8-10)13-20-21-15(23-13)19-14(22)18-12-4-2-1-3-11(12)17/h1-8H,(H2,18,19,21,22).
What are the key properties of 1-(2-chlorophenyl)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]urea?
1-(2-chlorophenyl)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]urea has a molecular weight of 349.18 g/mol, XLogP of 4.69, 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-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]urea is sourced from PubChem (CID 2127565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).