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

C17H11ClN4O2 — CID 135705569

IUPAC(3E)-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-5-methyl-1H-indol-2-one
SMILESCc1ccc2c(c1)/C(=N\c1nnc(-c3ccc(Cl)cc3)o1)C(=O)N2
InChIInChI=1S/C17H11ClN4O2/c1-9-2-7-13-12(8-9)14(15(23)19-13)20-17-22-21-16(24-17)10-3-5-11(18)6-4-10/h2-8H,1H3,(H,19,20,22,23)
InChIKeyGTKHTJXJDNHETL-UHFFFAOYSA-N
MW338.75 g/mol
LogP3.77
Rot. Bonds2

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

(3E)-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-5-methyl-1H-indol-2-one (PubChem CID 135705569) has the molecular formula C17H11ClN4O2 and a molecular weight of 338.75 g/mol. Its IUPAC name is (3E)-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-5-methyl-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-5-methyl-1H-indol-2-one
PubChem CID135705569
Molecular FormulaC17H11ClN4O2
Molecular Weight338.75 g/mol
Exact Mass338.06
IUPAC Name(3E)-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-5-methyl-1H-indol-2-one
SMILESCc1ccc2c(c1)/C(=N\c1nnc(-c3ccc(Cl)cc3)o1)C(=O)N2
InChIInChI=1S/C17H11ClN4O2/c1-9-2-7-13-12(8-9)14(15(23)19-13)20-17-22-21-16(24-17)10-3-5-11(18)6-4-10/h2-8H,1H3,(H,19,20,22,23)
InChIKeyGTKHTJXJDNHETL-UHFFFAOYSA-N
XLogP3.77
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.75
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(4-chlorophenyl)-6-(4-methylphenyl)pyrimidin-2-yl]imino-1H-indol-2-one
CID 135399034
3-(3-chloro-2-methylphenyl)imino-5-methyl-1H-indol-2-one
CID 135559374
5-methyl-3-[4-(4-methylphenoxy)phenyl]imino-1H-indol-2-one
CID 135559351
methyl N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethanimidothioate
CID 167583574
4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-methylphenyl)benzamide
CID 135559242
(2E,5E)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one
CID 135487381
ethane;5-methyl-1H-indole-2,3-dione
CID 167465051
5-chloro-3-(4-hydroxyphenyl)imino-1H-indol-2-one
CID 171716800
3-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide
CID 137028519
2-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 137065290
2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole
CID 4154393
5-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine
CID 155811575

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-5-methyl-1H-indol-2-one?
The IUPAC name of (3E)-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-5-methyl-1H-indol-2-one (CID 135705569) is (3E)-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-5-methyl-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-5-methyl-1H-indol-2-one?
The canonical SMILES for (3E)-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-5-methyl-1H-indol-2-one is Cc1ccc2c(c1)/C(=N\c1nnc(-c3ccc(Cl)cc3)o1)C(=O)N2.
What is the InChIKey of (3E)-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-5-methyl-1H-indol-2-one?
The InChIKey is GTKHTJXJDNHETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4O2/c1-9-2-7-13-12(8-9)14(15(23)19-13)20-17-22-21-16(24-17)10-3-5-11(18)6-4-10/h2-8H,1H3,(H,19,20,22,23).
What are the key properties of (3E)-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-5-methyl-1H-indol-2-one?
(3E)-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-5-methyl-1H-indol-2-one has a molecular weight of 338.75 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 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]-5-methyl-1H-indol-2-one is sourced from PubChem (CID 135705569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).