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

C18H13ClN4O2 — CID 6510098

IUPAC(3E)-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1,5-dimethylindol-2-one
SMILESCc1ccc2c(c1)/C(=N\c1nnc(-c3ccc(Cl)cc3)o1)C(=O)N2C
InChIInChI=1S/C18H13ClN4O2/c1-10-3-8-14-13(9-10)15(17(24)23(14)2)20-18-22-21-16(25-18)11-4-6-12(19)7-5-11/h3-9H,1-2H3/b20-15+
InChIKeyRPNOGRGKZIAKOX-HMMYKYKNSA-N
MW352.78 g/mol
LogP3.80
Rot. Bonds2

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

(3E)-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1,5-dimethylindol-2-one (PubChem CID 6510098) has the molecular formula C18H13ClN4O2 and a molecular weight of 352.78 g/mol. Its IUPAC name is (3E)-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1,5-dimethylindol-2-one.

Molecular Properties

Compound Name(3E)-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1,5-dimethylindol-2-one
PubChem CID6510098
Molecular FormulaC18H13ClN4O2
Molecular Weight352.78 g/mol
Exact Mass352.07
IUPAC Name(3E)-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1,5-dimethylindol-2-one
SMILESCc1ccc2c(c1)/C(=N\c1nnc(-c3ccc(Cl)cc3)o1)C(=O)N2C
InChIInChI=1S/C18H13ClN4O2/c1-10-3-8-14-13(9-10)15(17(24)23(14)2)20-18-22-21-16(25-18)11-4-6-12(19)7-5-11/h3-9H,1-2H3/b20-15+
InChIKeyRPNOGRGKZIAKOX-HMMYKYKNSA-N
XLogP3.80
TPSA71.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 53.80
H-Bond Donors ≤ 50
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-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1,5-dimethylindol-2-one?
The IUPAC name of (3E)-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1,5-dimethylindol-2-one (CID 6510098) is (3E)-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1,5-dimethylindol-2-one.
What is the SMILES notation for (3E)-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1,5-dimethylindol-2-one?
The canonical SMILES for (3E)-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1,5-dimethylindol-2-one is Cc1ccc2c(c1)/C(=N\c1nnc(-c3ccc(Cl)cc3)o1)C(=O)N2C.
What is the InChIKey of (3E)-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1,5-dimethylindol-2-one?
The InChIKey is RPNOGRGKZIAKOX-HMMYKYKNSA-N. The full InChI is InChI=1S/C18H13ClN4O2/c1-10-3-8-14-13(9-10)15(17(24)23(14)2)20-18-22-21-16(25-18)11-4-6-12(19)7-5-11/h3-9H,1-2H3/b20-15+.
What are the key properties of (3E)-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1,5-dimethylindol-2-one?
(3E)-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1,5-dimethylindol-2-one has a molecular weight of 352.78 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-1,5-dimethylindol-2-one is sourced from PubChem (CID 6510098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).