5-[(4,5-dicyanoimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide

C10H7N7O2 — CID 112595905

IUPAC5-[(4,5-dicyanoimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
SMILESN#Cc1ncn(Cc2cc(C(=O)NN)no2)c1C#N
InChIInChI=1S/C10H7N7O2/c11-2-8-9(3-12)17(5-14-8)4-6-1-7(16-19-6)10(18)15-13/h1,5H,4,13H2,(H,15,18)
InChIKeyUNDDGOSKYJHYCI-UHFFFAOYSA-N
MW257.21 g/mol
LogP-0.73
Rot. Bonds3

About 5-[(4,5-dicyanoimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide

5-[(4,5-dicyanoimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide (PubChem CID 112595905) has the molecular formula C10H7N7O2 and a molecular weight of 257.21 g/mol. Its IUPAC name is 5-[(4,5-dicyanoimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-[(4,5-dicyanoimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
PubChem CID112595905
Molecular FormulaC10H7N7O2
Molecular Weight257.21 g/mol
Exact Mass257.07
IUPAC Name5-[(4,5-dicyanoimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
SMILESN#Cc1ncn(Cc2cc(C(=O)NN)no2)c1C#N
InChIInChI=1S/C10H7N7O2/c11-2-8-9(3-12)17(5-14-8)4-6-1-7(16-19-6)10(18)15-13/h1,5H,4,13H2,(H,15,18)
InChIKeyUNDDGOSKYJHYCI-UHFFFAOYSA-N
XLogP-0.73
TPSA146.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-[(4,5-dicyanoimidazol-1-yl)methyl]thiophene-2-carbohydrazide
CID 112595889
5-[(4-oxoquinazolin-3-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 63577398
3-bromo-4-[(4,5-dicyanoimidazol-1-yl)methyl]benzohydrazide
CID 102774894
5-[(4,5-dicyanoimidazol-1-yl)methyl]furan-3-carboxylic acid
CID 112595005
5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 55212892
5-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 63582796
5-(azocan-1-ylmethyl)-1,2-oxazole-3-carbohydrazide
CID 63570998
5-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 104735539
1-[(5-bromofuran-2-yl)methyl]imidazole-4,5-dicarbonitrile
CID 112595727
5-[(5-bromo-2,4-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 55236529
3-[(4,5-dicyanoimidazol-1-yl)methyl]benzoic acid
CID 112595010
5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 63579229

Frequently Asked Questions

What is the IUPAC name of 5-[(4,5-dicyanoimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-[(4,5-dicyanoimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide (CID 112595905) is 5-[(4,5-dicyanoimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-[(4,5-dicyanoimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-[(4,5-dicyanoimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide is N#Cc1ncn(Cc2cc(C(=O)NN)no2)c1C#N.
What is the InChIKey of 5-[(4,5-dicyanoimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is UNDDGOSKYJHYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N7O2/c11-2-8-9(3-12)17(5-14-8)4-6-1-7(16-19-6)10(18)15-13/h1,5H,4,13H2,(H,15,18).
What are the key properties of 5-[(4,5-dicyanoimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide?
5-[(4,5-dicyanoimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 257.21 g/mol, XLogP of -0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,5-dicyanoimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 112595905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).