N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide

C20H15Cl2N5O2 — CID 58523948

IUPACN-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C20H15Cl2N5O2/c1-12-19(26-29-25-12)20(28)24-23-9-14-11-27(18-5-3-2-4-16(14)18)10-13-6-7-15(21)8-17(13)22/h2-9,11H,10H2,1H3,(H,24,28)/b23-9+
InChIKeyWUQYWHWUAUQKLJ-NUGSKGIGSA-N
MW428.28 g/mol
LogP4.45
Rot. Bonds5

About N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide

N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 58523948) has the molecular formula C20H15Cl2N5O2 and a molecular weight of 428.28 g/mol. Its IUPAC name is N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide
PubChem CID58523948
Molecular FormulaC20H15Cl2N5O2
Molecular Weight428.28 g/mol
Exact Mass427.06
IUPAC NameN-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C20H15Cl2N5O2/c1-12-19(26-29-25-12)20(28)24-23-9-14-11-27(18-5-3-2-4-16(14)18)10-13-6-7-15(21)8-17(13)22/h2-9,11H,10H2,1H3,(H,24,28)/b23-9+
InChIKeyWUQYWHWUAUQKLJ-NUGSKGIGSA-N
XLogP4.45
TPSA85.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.28
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide
CID 1360529
N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-(4-methylphenyl)acetamide
CID 126365049
N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-ethoxybenzamide
CID 17246263
2-(4-chlorophenyl)-N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 126149478
N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 126377852
1-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-nitroguanidine
CID 135495390
N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-naphthalen-1-ylsulfanylacetamide
CID 5075051
ethyl N-[(1S)-3-[(2Z)-2-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylidene]hydrazinyl]-3-oxo-1-phenylpropyl]carbamate
CID 126003342
(2S)-2-cyano-N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-phenylacetamide
CID 126210883
ethyl N-[(E)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]carbamate
CID 6880922
(3S)-N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 126010253
4-chloro-N-[(E)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]benzamide
CID 21379735

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide (CID 58523948) is N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide is Cc1nonc1C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12.
What is the InChIKey of N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is WUQYWHWUAUQKLJ-NUGSKGIGSA-N. The full InChI is InChI=1S/C20H15Cl2N5O2/c1-12-19(26-29-25-12)20(28)24-23-9-14-11-27(18-5-3-2-4-16(14)18)10-13-6-7-15(21)8-17(13)22/h2-9,11H,10H2,1H3,(H,24,28)/b23-9+.
What are the key properties of N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 428.28 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 58523948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).