5-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-1,2-oxazole-3-carbohydrazide

C10H9N7O3 — CID 63579776

IUPAC5-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-1,2-oxazole-3-carbohydrazide
SMILESNNC(=O)c1cc(Cn2nnc(-c3ccco3)n2)on1
InChIInChI=1S/C10H9N7O3/c11-12-10(18)7-4-6(20-15-7)5-17-14-9(13-16-17)8-2-1-3-19-8/h1-4H,5,11H2,(H,12,18)
InChIKeyMSEZNUNHWVCSCW-UHFFFAOYSA-N
MW275.23 g/mol
LogP-0.43
Rot. Bonds4

About 5-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-1,2-oxazole-3-carbohydrazide

5-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-1,2-oxazole-3-carbohydrazide (PubChem CID 63579776) has the molecular formula C10H9N7O3 and a molecular weight of 275.23 g/mol. Its IUPAC name is 5-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-1,2-oxazole-3-carbohydrazide
PubChem CID63579776
Molecular FormulaC10H9N7O3
Molecular Weight275.23 g/mol
Exact Mass275.08
IUPAC Name5-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-1,2-oxazole-3-carbohydrazide
SMILESNNC(=O)c1cc(Cn2nnc(-c3ccco3)n2)on1
InChIInChI=1S/C10H9N7O3/c11-12-10(18)7-4-6(20-15-7)5-17-14-9(13-16-17)8-2-1-3-19-8/h1-4H,5,11H2,(H,12,18)
InChIKeyMSEZNUNHWVCSCW-UHFFFAOYSA-N
XLogP-0.43
TPSA137.89 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

3-[[5-(furan-2-yl)tetrazol-2-yl]methyl]thiophene-2-carbohydrazide
CID 63641279
4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-N-methylbenzamide
CID 136534799
2-[5-(furan-2-yl)tetrazol-2-yl]acetaldehyde
CID 62025655
4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-N-hydroxybenzamide;methyl 4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]benzoate
CID 160736159
2-[5-(furan-2-yl)tetrazol-2-yl]pentanehydrazide
CID 83048207
2-[5-(furan-2-yl)tetrazol-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110497
N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]propan-1-amine
CID 62566798
2-[5-(furan-2-yl)tetrazol-2-yl]-N-pentan-3-ylacetamide
CID 39998075
2-[5-(furan-2-yl)tetrazol-2-yl]-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103771124
2-[5-(furan-2-yl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
CID 43845168
2-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]-3-methoxypropanoic acid
CID 81084981
methyl 2-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]-methylamino]acetate
CID 43431769

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-1,2-oxazole-3-carbohydrazide (CID 63579776) is 5-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-1,2-oxazole-3-carbohydrazide is NNC(=O)c1cc(Cn2nnc(-c3ccco3)n2)on1.
What is the InChIKey of 5-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is MSEZNUNHWVCSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N7O3/c11-12-10(18)7-4-6(20-15-7)5-17-14-9(13-16-17)8-2-1-3-19-8/h1-4H,5,11H2,(H,12,18).
What are the key properties of 5-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-1,2-oxazole-3-carbohydrazide?
5-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 275.23 g/mol, XLogP of -0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 63579776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).