2-[5-(5-phenylfuran-2-yl)tetrazol-1-yl]acetic acid

C13H10N4O3 — CID 3022236

IUPAC2-[5-(5-phenylfuran-2-yl)tetrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nnnc1-c1ccc(-c2ccccc2)o1
InChIInChI=1S/C13H10N4O3/c18-12(19)8-17-13(14-15-16-17)11-7-6-10(20-11)9-4-2-1-3-5-9/h1-7H,8H2,(H,18,19)
InChIKeyZISDBXVKQJALNK-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.68
Rot. Bonds4

About 2-[5-(5-phenylfuran-2-yl)tetrazol-1-yl]acetic acid

2-[5-(5-phenylfuran-2-yl)tetrazol-1-yl]acetic acid (PubChem CID 3022236) has the molecular formula C13H10N4O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-[5-(5-phenylfuran-2-yl)tetrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(5-phenylfuran-2-yl)tetrazol-1-yl]acetic acid
PubChem CID3022236
Molecular FormulaC13H10N4O3
Molecular Weight270.25 g/mol
Exact Mass270.08
IUPAC Name2-[5-(5-phenylfuran-2-yl)tetrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nnnc1-c1ccc(-c2ccccc2)o1
InChIInChI=1S/C13H10N4O3/c18-12(19)8-17-13(14-15-16-17)11-7-6-10(20-11)9-4-2-1-3-5-9/h1-7H,8H2,(H,18,19)
InChIKeyZISDBXVKQJALNK-UHFFFAOYSA-N
XLogP1.68
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-phenylfuran-2-yl)tetrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-(5-phenylfuran-2-yl)tetrazol-1-yl]acetic acid (CID 3022236) is 2-[5-(5-phenylfuran-2-yl)tetrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(5-phenylfuran-2-yl)tetrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-(5-phenylfuran-2-yl)tetrazol-1-yl]acetic acid is O=C(O)Cn1nnnc1-c1ccc(-c2ccccc2)o1.
What is the InChIKey of 2-[5-(5-phenylfuran-2-yl)tetrazol-1-yl]acetic acid?
The InChIKey is ZISDBXVKQJALNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O3/c18-12(19)8-17-13(14-15-16-17)11-7-6-10(20-11)9-4-2-1-3-5-9/h1-7H,8H2,(H,18,19).
What are the key properties of 2-[5-(5-phenylfuran-2-yl)tetrazol-1-yl]acetic acid?
2-[5-(5-phenylfuran-2-yl)tetrazol-1-yl]acetic acid has a molecular weight of 270.25 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-phenylfuran-2-yl)tetrazol-1-yl]acetic acid is sourced from PubChem (CID 3022236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).