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

C11H10N4O3 — CID 5399329

IUPACN-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)N/N=C\c1cccc(O)c1
InChIInChI=1S/C11H10N4O3/c1-7-10(15-18-14-7)11(17)13-12-6-8-3-2-4-9(16)5-8/h2-6,16H,1H3,(H,13,17)/b12-6-
InChIKeyFVOULDWNCQZOCW-SDQBBNPISA-N
MW246.23 g/mol
LogP0.85
Rot. Bonds3

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

N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 5399329) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide
PubChem CID5399329
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC NameN-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)N/N=C\c1cccc(O)c1
InChIInChI=1S/C11H10N4O3/c1-7-10(15-18-14-7)11(17)13-12-6-8-3-2-4-9(16)5-8/h2-6,16H,1H3,(H,13,17)/b12-6-
InChIKeyFVOULDWNCQZOCW-SDQBBNPISA-N
XLogP0.85
TPSA100.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 50.85
H-Bond Donors ≤ 52
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-[(Z)-(3-iodophenyl)methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 41065971
4-amino-N-[(E)-(3-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide
CID 5339905
4-methyl-N-[(E)-pyridin-4-ylmethylideneamino]-1,2,5-oxadiazole-3-carboxamide
CID 5393857
N-[(4-methoxy-3-nitrophenyl)methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 840681
N-[(3-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide
CID 963063
4-methyl-N-[(4-nitrophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide
CID 840676
N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 136663019
ethyl N-[(E)-(3-hydroxyphenyl)methylideneamino]carbamate
CID 6861610
N-[(E)-(3-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 6885887
N-[(E)-(3-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 6887460
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 5427556
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 5418227

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide (CID 5399329) is N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide is Cc1nonc1C(=O)N/N=C\c1cccc(O)c1.
What is the InChIKey of N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is FVOULDWNCQZOCW-SDQBBNPISA-N. The full InChI is InChI=1S/C11H10N4O3/c1-7-10(15-18-14-7)11(17)13-12-6-8-3-2-4-9(16)5-8/h2-6,16H,1H3,(H,13,17)/b12-6-.
What are the key properties of N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 246.23 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 5399329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).