furan-3-ylmethyl 4-(triazol-1-yl)benzoate

C14H11N3O3 — CID 75392760

IUPACfuran-3-ylmethyl 4-(triazol-1-yl)benzoate
SMILESO=C(OCc1ccoc1)c1ccc(-n2ccnn2)cc1
InChIInChI=1S/C14H11N3O3/c18-14(20-10-11-5-8-19-9-11)12-1-3-13(4-2-12)17-7-6-15-16-17/h1-9H,10H2
InChIKeyZBYBIDGYDIGFLB-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.22
Rot. Bonds4

About furan-3-ylmethyl 4-(triazol-1-yl)benzoate

furan-3-ylmethyl 4-(triazol-1-yl)benzoate (PubChem CID 75392760) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is furan-3-ylmethyl 4-(triazol-1-yl)benzoate.

Molecular Properties

Compound Namefuran-3-ylmethyl 4-(triazol-1-yl)benzoate
PubChem CID75392760
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Namefuran-3-ylmethyl 4-(triazol-1-yl)benzoate
SMILESO=C(OCc1ccoc1)c1ccc(-n2ccnn2)cc1
InChIInChI=1S/C14H11N3O3/c18-14(20-10-11-5-8-19-9-11)12-1-3-13(4-2-12)17-7-6-15-16-17/h1-9H,10H2
InChIKeyZBYBIDGYDIGFLB-UHFFFAOYSA-N
XLogP2.22
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,2,4-triazol-1-yl)ethyl 4-(triazol-1-yl)benzoate
CID 75392614
ethyl 4-(furan-3-ylmethyl)benzoate
CID 101411930
1-[4-(triazol-1-yl)phenyl]prop-2-yn-1-one
CID 141083827
(4-pyrazol-1-ylphenyl)methyl 4-(4-hydroxyphenyl)benzoate
CID 16571182
(4-propan-2-ylphenyl)methyl 4-(tetrazol-1-yl)benzoate
CID 7500799
furan-3-ylmethyl 3-(methylcarbamoyl)benzoate
CID 75375019
1,3-benzodioxol-5-ylmethyl 4-(tetrazol-1-yl)benzoate
CID 7500782
(4-pyrazol-1-ylphenyl)methyl 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 27831699
furan-3-ylmethyl N-methylcarbamate
CID 57025329
methyl 5-[[4-(tetrazol-1-yl)benzoyl]oxymethyl]furan-2-carboxylate
CID 2570777
ethyl 4-(furan-3-yl)benzoate
CID 86071197
furan-3-ylmethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 47348563

Frequently Asked Questions

What is the IUPAC name of furan-3-ylmethyl 4-(triazol-1-yl)benzoate?
The IUPAC name of furan-3-ylmethyl 4-(triazol-1-yl)benzoate (CID 75392760) is furan-3-ylmethyl 4-(triazol-1-yl)benzoate.
What is the SMILES notation for furan-3-ylmethyl 4-(triazol-1-yl)benzoate?
The canonical SMILES for furan-3-ylmethyl 4-(triazol-1-yl)benzoate is O=C(OCc1ccoc1)c1ccc(-n2ccnn2)cc1.
What is the InChIKey of furan-3-ylmethyl 4-(triazol-1-yl)benzoate?
The InChIKey is ZBYBIDGYDIGFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c18-14(20-10-11-5-8-19-9-11)12-1-3-13(4-2-12)17-7-6-15-16-17/h1-9H,10H2.
What are the key properties of furan-3-ylmethyl 4-(triazol-1-yl)benzoate?
furan-3-ylmethyl 4-(triazol-1-yl)benzoate has a molecular weight of 269.26 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-ylmethyl 4-(triazol-1-yl)benzoate is sourced from PubChem (CID 75392760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).