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

C17H15ClN4O3 — CID 23609369

IUPAC1-(4-chlorophenyl)-3-[2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)ethyl]urea
SMILESO=C(NCCn1nc(-c2ccccc2)oc1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN4O3/c18-13-6-8-14(9-7-13)20-16(23)19-10-11-22-17(24)25-15(21-22)12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,19,20,23)
InChIKeyUCMORGLERWBJCQ-UHFFFAOYSA-N
MW358.79 g/mol
LogP2.98
Rot. Bonds5

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

1-(4-chlorophenyl)-3-[2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)ethyl]urea (PubChem CID 23609369) has the molecular formula C17H15ClN4O3 and a molecular weight of 358.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)ethyl]urea
PubChem CID23609369
Molecular FormulaC17H15ClN4O3
Molecular Weight358.79 g/mol
Exact Mass358.08
IUPAC Name1-(4-chlorophenyl)-3-[2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)ethyl]urea
SMILESO=C(NCCn1nc(-c2ccccc2)oc1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN4O3/c18-13-6-8-14(9-7-13)20-16(23)19-10-11-22-17(24)25-15(21-22)12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,19,20,23)
InChIKeyUCMORGLERWBJCQ-UHFFFAOYSA-N
XLogP2.98
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)ethyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)ethyl]urea (CID 23609369) is 1-(4-chlorophenyl)-3-[2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)ethyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)ethyl]urea is O=C(NCCn1nc(-c2ccccc2)oc1=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)ethyl]urea?
The InChIKey is UCMORGLERWBJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3/c18-13-6-8-14(9-7-13)20-16(23)19-10-11-22-17(24)25-15(21-22)12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,19,20,23).
What are the key properties of 1-(4-chlorophenyl)-3-[2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)ethyl]urea?
1-(4-chlorophenyl)-3-[2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)ethyl]urea has a molecular weight of 358.79 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)ethyl]urea is sourced from PubChem (CID 23609369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).