2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide

C16H17N5O3 — CID 644706

IUPAC2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCCOc1ccc(-c2nnn(CC(=O)NCc3ccco3)n2)cc1
InChIInChI=1S/C16H17N5O3/c1-2-23-13-7-5-12(6-8-13)16-18-20-21(19-16)11-15(22)17-10-14-4-3-9-24-14/h3-9H,2,10-11H2,1H3,(H,17,22)
InChIKeyMLJYJXKFPMBVFX-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.65
Rot. Bonds7

About 2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide

2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 644706) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is 2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID644706
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Name2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCCOc1ccc(-c2nnn(CC(=O)NCc3ccco3)n2)cc1
InChIInChI=1S/C16H17N5O3/c1-2-23-13-7-5-12(6-8-13)16-18-20-21(19-16)11-15(22)17-10-14-4-3-9-24-14/h3-9H,2,10-11H2,1H3,(H,17,22)
InChIKeyMLJYJXKFPMBVFX-UHFFFAOYSA-N
XLogP1.65
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide (CID 644706) is 2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide is CCOc1ccc(-c2nnn(CC(=O)NCc3ccco3)n2)cc1.
What is the InChIKey of 2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is MLJYJXKFPMBVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c1-2-23-13-7-5-12(6-8-13)16-18-20-21(19-16)11-15(22)17-10-14-4-3-9-24-14/h3-9H,2,10-11H2,1H3,(H,17,22).
What are the key properties of 2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide?
2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 327.34 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 644706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).