(3E)-3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1H-indol-2-one

C16H9ClN4O2 — CID 135705564

IUPAC(3E)-3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=N\c1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C16H9ClN4O2/c17-11-7-3-1-5-9(11)15-20-21-16(23-15)19-13-10-6-2-4-8-12(10)18-14(13)22/h1-8H,(H,18,19,21,22)
InChIKeyUYCGPXXHSTXPTH-UHFFFAOYSA-N
MW324.73 g/mol
LogP3.46
Rot. Bonds2

About (3E)-3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1H-indol-2-one

(3E)-3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1H-indol-2-one (PubChem CID 135705564) has the molecular formula C16H9ClN4O2 and a molecular weight of 324.73 g/mol. Its IUPAC name is (3E)-3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1H-indol-2-one
PubChem CID135705564
Molecular FormulaC16H9ClN4O2
Molecular Weight324.73 g/mol
Exact Mass324.04
IUPAC Name(3E)-3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=N\c1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C16H9ClN4O2/c17-11-7-3-1-5-9(11)15-20-21-16(23-15)19-13-10-6-2-4-8-12(10)18-14(13)22/h1-8H,(H,18,19,21,22)
InChIKeyUYCGPXXHSTXPTH-UHFFFAOYSA-N
XLogP3.46
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.73
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1H-indol-2-one?
The IUPAC name of (3E)-3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1H-indol-2-one (CID 135705564) is (3E)-3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1H-indol-2-one?
The canonical SMILES for (3E)-3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1H-indol-2-one is O=C1Nc2ccccc2/C1=N\c1nnc(-c2ccccc2Cl)o1.
What is the InChIKey of (3E)-3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1H-indol-2-one?
The InChIKey is UYCGPXXHSTXPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClN4O2/c17-11-7-3-1-5-9(11)15-20-21-16(23-15)19-13-10-6-2-4-8-12(10)18-14(13)22/h1-8H,(H,18,19,21,22).
What are the key properties of (3E)-3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1H-indol-2-one?
(3E)-3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1H-indol-2-one has a molecular weight of 324.73 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1H-indol-2-one is sourced from PubChem (CID 135705564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).