[5-(5-butylfuran-2-yl)tetrazol-1-yl] acetate

C11H14N4O3 — CID 19427323

IUPAC[5-(5-butylfuran-2-yl)tetrazol-1-yl] acetate
SMILESCCCCc1ccc(-c2nnnn2OC(C)=O)o1
InChIInChI=1S/C11H14N4O3/c1-3-4-5-9-6-7-10(17-9)11-12-13-14-15(11)18-8(2)16/h6-7H,3-5H2,1-2H3
InChIKeyUAPMFWNKXNYQAZ-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.25
Rot. Bonds5

About [5-(5-butylfuran-2-yl)tetrazol-1-yl] acetate

[5-(5-butylfuran-2-yl)tetrazol-1-yl] acetate (PubChem CID 19427323) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is [5-(5-butylfuran-2-yl)tetrazol-1-yl] acetate.

Molecular Properties

Compound Name[5-(5-butylfuran-2-yl)tetrazol-1-yl] acetate
PubChem CID19427323
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name[5-(5-butylfuran-2-yl)tetrazol-1-yl] acetate
SMILESCCCCc1ccc(-c2nnnn2OC(C)=O)o1
InChIInChI=1S/C11H14N4O3/c1-3-4-5-9-6-7-10(17-9)11-12-13-14-15(11)18-8(2)16/h6-7H,3-5H2,1-2H3
InChIKeyUAPMFWNKXNYQAZ-UHFFFAOYSA-N
XLogP1.25
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ester_of_HOBT', 'substructure': 'N/A'}

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Related Compounds

5-(5-methylfuran-2-yl)-2H-tetrazole
CID 655677
2H-Tetrazole-2-acetic acid, 5-(5-(3-methylphenyl)-2-furanyl)-
CID 3022224
Ethyl 2-fluoro-2-[5-(furan-2-yl)tetrazol-2-yl]acetate
CID 81298498
Ethyl 2-[5-(furan-2-yl)tetrazol-2-yl]acetate
CID 60735764
5-(5-phenylfuran-2-yl)-2H-tetrazole
CID 13011716
2-[5-(5-Phenylfuran-2-yl)tetrazol-2-yl]acetic acid
CID 13711320
[5-(5-Bromofuran-2-yl)tetrazol-1-yl] acetate
CID 19427315
[5-(5-Methylfuran-2-yl)tetrazol-1-yl] acetate
CID 19427349
[5-(Furan-2-yl)tetrazol-1-yl] acetate
CID 19427355
[5-(5-Methylsulfanylfuran-2-yl)tetrazol-1-yl] acetate
CID 19427366
5-(5-ethylfuran-2-yl)-2H-tetrazole
CID 20770528
[5-(5-Butylfuran-2-yl)tetrazol-1-yl] propanoate
CID 21661635

Frequently Asked Questions

What is the IUPAC name of [5-(5-butylfuran-2-yl)tetrazol-1-yl] acetate?
The IUPAC name of [5-(5-butylfuran-2-yl)tetrazol-1-yl] acetate (CID 19427323) is [5-(5-butylfuran-2-yl)tetrazol-1-yl] acetate.
What is the SMILES notation for [5-(5-butylfuran-2-yl)tetrazol-1-yl] acetate?
The canonical SMILES for [5-(5-butylfuran-2-yl)tetrazol-1-yl] acetate is CCCCc1ccc(-c2nnnn2OC(C)=O)o1.
What is the InChIKey of [5-(5-butylfuran-2-yl)tetrazol-1-yl] acetate?
The InChIKey is UAPMFWNKXNYQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-3-4-5-9-6-7-10(17-9)11-12-13-14-15(11)18-8(2)16/h6-7H,3-5H2,1-2H3.
What are the key properties of [5-(5-butylfuran-2-yl)tetrazol-1-yl] acetate?
[5-(5-butylfuran-2-yl)tetrazol-1-yl] acetate has a molecular weight of 250.26 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-butylfuran-2-yl)tetrazol-1-yl] acetate is sourced from PubChem (CID 19427323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).