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

C16H8Cl2N4O2 — CID 135705562

IUPAC(3E)-5-chloro-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2/C1=N\c1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C16H8Cl2N4O2/c17-9-3-1-8(2-4-9)15-21-22-16(24-15)20-13-11-7-10(18)5-6-12(11)19-14(13)23/h1-7H,(H,19,20,22,23)
InChIKeyDVEKASOQLJFRKP-UHFFFAOYSA-N
MW359.17 g/mol
LogP4.12
Rot. Bonds2

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

(3E)-5-chloro-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1H-indol-2-one (PubChem CID 135705562) has the molecular formula C16H8Cl2N4O2 and a molecular weight of 359.17 g/mol. Its IUPAC name is (3E)-5-chloro-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-5-chloro-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1H-indol-2-one
PubChem CID135705562
Molecular FormulaC16H8Cl2N4O2
Molecular Weight359.17 g/mol
Exact Mass358.00
IUPAC Name(3E)-5-chloro-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2/C1=N\c1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C16H8Cl2N4O2/c17-9-3-1-8(2-4-9)15-21-22-16(24-15)20-13-11-7-10(18)5-6-12(11)19-14(13)23/h1-7H,(H,19,20,22,23)
InChIKeyDVEKASOQLJFRKP-UHFFFAOYSA-N
XLogP4.12
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.17
LogP ≤ 54.12
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)-5-chloro-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1H-indol-2-one?
The IUPAC name of (3E)-5-chloro-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1H-indol-2-one (CID 135705562) is (3E)-5-chloro-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1H-indol-2-one.
What is the SMILES notation for (3E)-5-chloro-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1H-indol-2-one?
The canonical SMILES for (3E)-5-chloro-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1H-indol-2-one is O=C1Nc2ccc(Cl)cc2/C1=N\c1nnc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of (3E)-5-chloro-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1H-indol-2-one?
The InChIKey is DVEKASOQLJFRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl2N4O2/c17-9-3-1-8(2-4-9)15-21-22-16(24-15)20-13-11-7-10(18)5-6-12(11)19-14(13)23/h1-7H,(H,19,20,22,23).
What are the key properties of (3E)-5-chloro-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1H-indol-2-one?
(3E)-5-chloro-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1H-indol-2-one has a molecular weight of 359.17 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-chloro-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1H-indol-2-one is sourced from PubChem (CID 135705562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).