1-[4-[4-(furan-3-yl)phenoxy]-1H-triazol-5-yl]ethanone

C14H11N3O3 — CID 163412338

IUPAC1-[4-[4-(furan-3-yl)phenoxy]-1H-triazol-5-yl]ethanone
SMILESCC(=O)c1[nH]nnc1Oc1ccc(-c2ccoc2)cc1
InChIInChI=1S/C14H11N3O3/c1-9(18)13-14(16-17-15-13)20-12-4-2-10(3-5-12)11-6-7-19-8-11/h2-8H,1H3,(H,15,16,17)
InChIKeyUFDRJTHYMLZJQI-UHFFFAOYSA-N
MW269.26 g/mol
LogP3.06
Rot. Bonds4

About 1-[4-[4-(furan-3-yl)phenoxy]-1H-triazol-5-yl]ethanone

1-[4-[4-(furan-3-yl)phenoxy]-1H-triazol-5-yl]ethanone (PubChem CID 163412338) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 1-[4-[4-(furan-3-yl)phenoxy]-1H-triazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(furan-3-yl)phenoxy]-1H-triazol-5-yl]ethanone
PubChem CID163412338
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name1-[4-[4-(furan-3-yl)phenoxy]-1H-triazol-5-yl]ethanone
SMILESCC(=O)c1[nH]nnc1Oc1ccc(-c2ccoc2)cc1
InChIInChI=1S/C14H11N3O3/c1-9(18)13-14(16-17-15-13)20-12-4-2-10(3-5-12)11-6-7-19-8-11/h2-8H,1H3,(H,15,16,17)
InChIKeyUFDRJTHYMLZJQI-UHFFFAOYSA-N
XLogP3.06
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(furan-3-yl)phenoxy]-1H-triazol-5-yl]ethanone?
The IUPAC name of 1-[4-[4-(furan-3-yl)phenoxy]-1H-triazol-5-yl]ethanone (CID 163412338) is 1-[4-[4-(furan-3-yl)phenoxy]-1H-triazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(furan-3-yl)phenoxy]-1H-triazol-5-yl]ethanone?
The canonical SMILES for 1-[4-[4-(furan-3-yl)phenoxy]-1H-triazol-5-yl]ethanone is CC(=O)c1[nH]nnc1Oc1ccc(-c2ccoc2)cc1.
What is the InChIKey of 1-[4-[4-(furan-3-yl)phenoxy]-1H-triazol-5-yl]ethanone?
The InChIKey is UFDRJTHYMLZJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-9(18)13-14(16-17-15-13)20-12-4-2-10(3-5-12)11-6-7-19-8-11/h2-8H,1H3,(H,15,16,17).
What are the key properties of 1-[4-[4-(furan-3-yl)phenoxy]-1H-triazol-5-yl]ethanone?
1-[4-[4-(furan-3-yl)phenoxy]-1H-triazol-5-yl]ethanone has a molecular weight of 269.26 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(furan-3-yl)phenoxy]-1H-triazol-5-yl]ethanone is sourced from PubChem (CID 163412338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).