4-[(5-benzyltetrazol-2-yl)methyl]-N-hydroxybenzamide

C16H15N5O2 — CID 135357575

IUPAC4-[(5-benzyltetrazol-2-yl)methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(Cn2nnc(Cc3ccccc3)n2)cc1
InChIInChI=1S/C16H15N5O2/c22-16(19-23)14-8-6-13(7-9-14)11-21-18-15(17-20-21)10-12-4-2-1-3-5-12/h1-9,23H,10-11H2,(H,19,22)
InChIKeyJYFRLJJRNOJNLR-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.43
Rot. Bonds5

About 4-[(5-benzyltetrazol-2-yl)methyl]-N-hydroxybenzamide

4-[(5-benzyltetrazol-2-yl)methyl]-N-hydroxybenzamide (PubChem CID 135357575) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 4-[(5-benzyltetrazol-2-yl)methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(5-benzyltetrazol-2-yl)methyl]-N-hydroxybenzamide
PubChem CID135357575
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name4-[(5-benzyltetrazol-2-yl)methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(Cn2nnc(Cc3ccccc3)n2)cc1
InChIInChI=1S/C16H15N5O2/c22-16(19-23)14-8-6-13(7-9-14)11-21-18-15(17-20-21)10-12-4-2-1-3-5-12/h1-9,23H,10-11H2,(H,19,22)
InChIKeyJYFRLJJRNOJNLR-UHFFFAOYSA-N
XLogP1.43
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-benzyltetrazol-2-yl)methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[(5-benzyltetrazol-2-yl)methyl]-N-hydroxybenzamide (CID 135357575) is 4-[(5-benzyltetrazol-2-yl)methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[(5-benzyltetrazol-2-yl)methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[(5-benzyltetrazol-2-yl)methyl]-N-hydroxybenzamide is O=C(NO)c1ccc(Cn2nnc(Cc3ccccc3)n2)cc1.
What is the InChIKey of 4-[(5-benzyltetrazol-2-yl)methyl]-N-hydroxybenzamide?
The InChIKey is JYFRLJJRNOJNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c22-16(19-23)14-8-6-13(7-9-14)11-21-18-15(17-20-21)10-12-4-2-1-3-5-12/h1-9,23H,10-11H2,(H,19,22).
What are the key properties of 4-[(5-benzyltetrazol-2-yl)methyl]-N-hydroxybenzamide?
4-[(5-benzyltetrazol-2-yl)methyl]-N-hydroxybenzamide has a molecular weight of 309.33 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-benzyltetrazol-2-yl)methyl]-N-hydroxybenzamide is sourced from PubChem (CID 135357575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).