5-[(3-cyano-5-methoxyphenoxy)methyl]furan-3-carbohydrazide

C14H13N3O4 — CID 103568335

IUPAC5-[(3-cyano-5-methoxyphenoxy)methyl]furan-3-carbohydrazide
SMILESCOc1cc(C#N)cc(OCc2cc(C(=O)NN)co2)c1
InChIInChI=1S/C14H13N3O4/c1-19-11-2-9(6-15)3-12(5-11)21-8-13-4-10(7-20-13)14(18)17-16/h2-5,7H,8,16H2,1H3,(H,17,18)
InChIKeyHBBGFVOSWSEFIJ-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.34
Rot. Bonds5

About 5-[(3-cyano-5-methoxyphenoxy)methyl]furan-3-carbohydrazide

5-[(3-cyano-5-methoxyphenoxy)methyl]furan-3-carbohydrazide (PubChem CID 103568335) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 5-[(3-cyano-5-methoxyphenoxy)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name5-[(3-cyano-5-methoxyphenoxy)methyl]furan-3-carbohydrazide
PubChem CID103568335
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name5-[(3-cyano-5-methoxyphenoxy)methyl]furan-3-carbohydrazide
SMILESCOc1cc(C#N)cc(OCc2cc(C(=O)NN)co2)c1
InChIInChI=1S/C14H13N3O4/c1-19-11-2-9(6-15)3-12(5-11)21-8-13-4-10(7-20-13)14(18)17-16/h2-5,7H,8,16H2,1H3,(H,17,18)
InChIKeyHBBGFVOSWSEFIJ-UHFFFAOYSA-N
XLogP1.34
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-methylphenoxy)methyl]furan-3-carbohydrazide
CID 63576172
5-[(3-bromo-4-fluorophenoxy)methyl]furan-3-carbohydrazide
CID 83234772
5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-3-carbohydrazide
CID 116804146
azane;5-[(4-methoxyphenoxy)methyl]furan-3-carboxylic acid
CID 131666805
3-methoxy-5-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzonitrile
CID 103566924
5-(propan-2-yloxymethyl)furan-3-carbohydrazide
CID 63574391
5-[(3,5-dimethoxyphenoxy)methyl]furan-2-carbohydrazide
CID 63570670
5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-3-carbohydrazide
CID 103290412
5-[(2,4,6-trichlorophenoxy)methyl]furan-3-carbohydrazide
CID 63575773
5-[(4-methoxyphenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 63580433
5-[(3-cyano-5-methoxyphenoxy)methyl]thiophene-2-carboxylic acid
CID 103566249
5-(2-ethoxyethoxymethyl)furan-3-carbohydrazide
CID 63588537

Frequently Asked Questions

What is the IUPAC name of 5-[(3-cyano-5-methoxyphenoxy)methyl]furan-3-carbohydrazide?
The IUPAC name of 5-[(3-cyano-5-methoxyphenoxy)methyl]furan-3-carbohydrazide (CID 103568335) is 5-[(3-cyano-5-methoxyphenoxy)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 5-[(3-cyano-5-methoxyphenoxy)methyl]furan-3-carbohydrazide?
The canonical SMILES for 5-[(3-cyano-5-methoxyphenoxy)methyl]furan-3-carbohydrazide is COc1cc(C#N)cc(OCc2cc(C(=O)NN)co2)c1.
What is the InChIKey of 5-[(3-cyano-5-methoxyphenoxy)methyl]furan-3-carbohydrazide?
The InChIKey is HBBGFVOSWSEFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-19-11-2-9(6-15)3-12(5-11)21-8-13-4-10(7-20-13)14(18)17-16/h2-5,7H,8,16H2,1H3,(H,17,18).
What are the key properties of 5-[(3-cyano-5-methoxyphenoxy)methyl]furan-3-carbohydrazide?
5-[(3-cyano-5-methoxyphenoxy)methyl]furan-3-carbohydrazide has a molecular weight of 287.28 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-cyano-5-methoxyphenoxy)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 103568335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).