2-(5-tert-butyltetrazol-2-yl)-N-phenoxyacetamide

C13H17N5O2 — CID 166268600

IUPAC2-(5-tert-butyltetrazol-2-yl)-N-phenoxyacetamide
SMILESCC(C)(C)c1nnn(CC(=O)NOc2ccccc2)n1
InChIInChI=1S/C13H17N5O2/c1-13(2,3)12-14-17-18(15-12)9-11(19)16-20-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,16,19)
InChIKeyXHCZFSCKTQBCTB-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.08
Rot. Bonds4

About 2-(5-tert-butyltetrazol-2-yl)-N-phenoxyacetamide

2-(5-tert-butyltetrazol-2-yl)-N-phenoxyacetamide (PubChem CID 166268600) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(5-tert-butyltetrazol-2-yl)-N-phenoxyacetamide.

Molecular Properties

Compound Name2-(5-tert-butyltetrazol-2-yl)-N-phenoxyacetamide
PubChem CID166268600
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name2-(5-tert-butyltetrazol-2-yl)-N-phenoxyacetamide
SMILESCC(C)(C)c1nnn(CC(=O)NOc2ccccc2)n1
InChIInChI=1S/C13H17N5O2/c1-13(2,3)12-14-17-18(15-12)9-11(19)16-20-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,16,19)
InChIKeyXHCZFSCKTQBCTB-UHFFFAOYSA-N
XLogP1.08
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyltetrazol-2-yl)-N-phenoxyacetamide?
The IUPAC name of 2-(5-tert-butyltetrazol-2-yl)-N-phenoxyacetamide (CID 166268600) is 2-(5-tert-butyltetrazol-2-yl)-N-phenoxyacetamide.
What is the SMILES notation for 2-(5-tert-butyltetrazol-2-yl)-N-phenoxyacetamide?
The canonical SMILES for 2-(5-tert-butyltetrazol-2-yl)-N-phenoxyacetamide is CC(C)(C)c1nnn(CC(=O)NOc2ccccc2)n1.
What is the InChIKey of 2-(5-tert-butyltetrazol-2-yl)-N-phenoxyacetamide?
The InChIKey is XHCZFSCKTQBCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-13(2,3)12-14-17-18(15-12)9-11(19)16-20-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,16,19).
What are the key properties of 2-(5-tert-butyltetrazol-2-yl)-N-phenoxyacetamide?
2-(5-tert-butyltetrazol-2-yl)-N-phenoxyacetamide has a molecular weight of 275.31 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyltetrazol-2-yl)-N-phenoxyacetamide is sourced from PubChem (CID 166268600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).