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

C15H11ClN4O2 — CID 13125707

IUPAC1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C15H11ClN4O2/c16-11-8-6-10(7-9-11)13-19-20-15(22-13)18-14(21)17-12-4-2-1-3-5-12/h1-9H,(H2,17,18,20,21)
InChIKeyANHSTOBLNKFYKO-UHFFFAOYSA-N
MW314.73 g/mol
LogP4.03
Rot. Bonds3

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

1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylurea (PubChem CID 13125707) has the molecular formula C15H11ClN4O2 and a molecular weight of 314.73 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylurea
PubChem CID13125707
Molecular FormulaC15H11ClN4O2
Molecular Weight314.73 g/mol
Exact Mass314.06
IUPAC Name1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C15H11ClN4O2/c16-11-8-6-10(7-9-11)13-19-20-15(22-13)18-14(21)17-12-4-2-1-3-5-12/h1-9H,(H2,17,18,20,21)
InChIKeyANHSTOBLNKFYKO-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-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylurea?
The IUPAC name of 1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylurea (CID 13125707) is 1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylurea.
What is the SMILES notation for 1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylurea?
The canonical SMILES for 1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylurea is O=C(Nc1ccccc1)Nc1nnc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylurea?
The InChIKey is ANHSTOBLNKFYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O2/c16-11-8-6-10(7-9-11)13-19-20-15(22-13)18-14(21)17-12-4-2-1-3-5-12/h1-9H,(H2,17,18,20,21).
What are the key properties of 1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylurea?
1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylurea 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-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylurea is sourced from PubChem (CID 13125707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).