N-[(2-chlorophenyl)methylideneamino]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide

C17H13ClN4O3 — CID 4155202

IUPACN-[(2-chlorophenyl)methylideneamino]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide
SMILESO=C(Cn1c(-c2ccccc2)noc1=O)NN=Cc1ccccc1Cl
InChIInChI=1S/C17H13ClN4O3/c18-14-9-5-4-8-13(14)10-19-20-15(23)11-22-16(21-25-17(22)24)12-6-2-1-3-7-12/h1-10H,11H2,(H,20,23)
InChIKeySDVPEQHBPIYPPQ-UHFFFAOYSA-N
MW356.77 g/mol
LogP2.31
Rot. Bonds5

About N-[(2-chlorophenyl)methylideneamino]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide

N-[(2-chlorophenyl)methylideneamino]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide (PubChem CID 4155202) has the molecular formula C17H13ClN4O3 and a molecular weight of 356.77 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methylideneamino]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methylideneamino]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide
PubChem CID4155202
Molecular FormulaC17H13ClN4O3
Molecular Weight356.77 g/mol
Exact Mass356.07
IUPAC NameN-[(2-chlorophenyl)methylideneamino]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide
SMILESO=C(Cn1c(-c2ccccc2)noc1=O)NN=Cc1ccccc1Cl
InChIInChI=1S/C17H13ClN4O3/c18-14-9-5-4-8-13(14)10-19-20-15(23)11-22-16(21-25-17(22)24)12-6-2-1-3-7-12/h1-10H,11H2,(H,20,23)
InChIKeySDVPEQHBPIYPPQ-UHFFFAOYSA-N
XLogP2.31
TPSA89.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.77
LogP ≤ 52.31
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

N-[(2-chlorophenyl)methylideneamino]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 75150430
N-[(E)-(2-chlorophenyl)methylideneamino]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 10665227
N-[(E)-(2-chlorophenyl)methylideneamino]-2-(2-methyl-5-nitroimidazol-1-yl)acetamide
CID 71658493
N-[(E)-(2-chlorophenyl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 6886093
N-[4-[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetyl]phenyl]benzamide
CID 48730150
2-(benzimidazol-1-yl)-N-[(2-chlorophenyl)methylideneamino]acetamide
CID 728512
N-[1-(furan-2-yl)ethyl]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide
CID 71935095
N-[(2-chlorophenyl)methylideneamino]-2-cyanoacetamide
CID 709280
N-[(E)-(2-chlorophenyl)methylideneamino]-2-cyanoacetamide
CID 6883998
N-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide
CID 43948440
N-[(2-chlorophenyl)methylideneamino]-2-(4-nitropyrazol-1-yl)acetamide
CID 3572062
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(4-fluorophenyl)acetamide
CID 7428594

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methylideneamino]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide?
The IUPAC name of N-[(2-chlorophenyl)methylideneamino]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide (CID 4155202) is N-[(2-chlorophenyl)methylideneamino]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methylideneamino]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methylideneamino]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide is O=C(Cn1c(-c2ccccc2)noc1=O)NN=Cc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methylideneamino]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide?
The InChIKey is SDVPEQHBPIYPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O3/c18-14-9-5-4-8-13(14)10-19-20-15(23)11-22-16(21-25-17(22)24)12-6-2-1-3-7-12/h1-10H,11H2,(H,20,23).
What are the key properties of N-[(2-chlorophenyl)methylideneamino]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide?
N-[(2-chlorophenyl)methylideneamino]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide has a molecular weight of 356.77 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methylideneamino]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide is sourced from PubChem (CID 4155202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).