4-methyl-N-[(4-nitrophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide

C11H9N5O4 — CID 840676

IUPAC4-methyl-N-[(4-nitrophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)NN=Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H9N5O4/c1-7-10(15-20-14-7)11(17)13-12-6-8-2-4-9(5-3-8)16(18)19/h2-6H,1H3,(H,13,17)
InChIKeyPJVZHXMHBHAIOY-UHFFFAOYSA-N
MW275.22 g/mol
LogP1.05
Rot. Bonds4

About 4-methyl-N-[(4-nitrophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide

4-methyl-N-[(4-nitrophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 840676) has the molecular formula C11H9N5O4 and a molecular weight of 275.22 g/mol. Its IUPAC name is 4-methyl-N-[(4-nitrophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(4-nitrophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide
PubChem CID840676
Molecular FormulaC11H9N5O4
Molecular Weight275.22 g/mol
Exact Mass275.07
IUPAC Name4-methyl-N-[(4-nitrophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)NN=Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H9N5O4/c1-7-10(15-20-14-7)11(17)13-12-6-8-2-4-9(5-3-8)16(18)19/h2-6H,1H3,(H,13,17)
InChIKeyPJVZHXMHBHAIOY-UHFFFAOYSA-N
XLogP1.05
TPSA123.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxy-3-nitrophenyl)methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 840681
4-methyl-N-[(E)-pyridin-4-ylmethylideneamino]-1,2,5-oxadiazole-3-carboxamide
CID 5393857
1,3-dimethyl-4-nitro-N-[(E)-(4-nitrophenyl)methylideneamino]pyrazole-5-carboxamide
CID 6873486
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 5399329
N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]oxamide
CID 6163815
N-[(Z)-(3-iodophenyl)methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 41065971
5-nitro-N-[(4-nitrophenyl)methylideneamino]-1H-imidazole-4-carboxamide
CID 135539369
ethyl N-[(E)-(4-nitrophenyl)methylideneamino]carbamate
CID 6899031
5-methyl-N-[(4-nitrophenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 760769
methyl N-[(4-nitrophenyl)methylideneamino]carbamate
CID 909440
methyl N-[(Z)-(4-nitrophenyl)methylideneamino]carbamate
CID 5417428
methyl N-[(E)-(4-nitrophenyl)methylideneamino]carbamate
CID 6898768

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4-nitrophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-methyl-N-[(4-nitrophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide (CID 840676) is 4-methyl-N-[(4-nitrophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[(4-nitrophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-methyl-N-[(4-nitrophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide is Cc1nonc1C(=O)NN=Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-methyl-N-[(4-nitrophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is PJVZHXMHBHAIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O4/c1-7-10(15-20-14-7)11(17)13-12-6-8-2-4-9(5-3-8)16(18)19/h2-6H,1H3,(H,13,17).
What are the key properties of 4-methyl-N-[(4-nitrophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide?
4-methyl-N-[(4-nitrophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 275.22 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4-nitrophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 840676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).