ethyl 4-[5-[[(1-ethyltetrazol-5-yl)amino]methyl]furan-2-yl]benzoate

C17H19N5O3 — CID 4726325

IUPACethyl 4-[5-[[(1-ethyltetrazol-5-yl)amino]methyl]furan-2-yl]benzoate
SMILESCCOC(=O)c1ccc(-c2ccc(CNc3nnnn3CC)o2)cc1
InChIInChI=1S/C17H19N5O3/c1-3-22-17(19-20-21-22)18-11-14-9-10-15(25-14)12-5-7-13(8-6-12)16(23)24-4-2/h5-10H,3-4,11H2,1-2H3,(H,18,19,21)
InChIKeyUMGJDPLDURMZEB-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.74
Rot. Bonds7

About ethyl 4-[5-[[(1-ethyltetrazol-5-yl)amino]methyl]furan-2-yl]benzoate

ethyl 4-[5-[[(1-ethyltetrazol-5-yl)amino]methyl]furan-2-yl]benzoate (PubChem CID 4726325) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is ethyl 4-[5-[[(1-ethyltetrazol-5-yl)amino]methyl]furan-2-yl]benzoate.

Molecular Properties

Compound Nameethyl 4-[5-[[(1-ethyltetrazol-5-yl)amino]methyl]furan-2-yl]benzoate
PubChem CID4726325
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Nameethyl 4-[5-[[(1-ethyltetrazol-5-yl)amino]methyl]furan-2-yl]benzoate
SMILESCCOC(=O)c1ccc(-c2ccc(CNc3nnnn3CC)o2)cc1
InChIInChI=1S/C17H19N5O3/c1-3-22-17(19-20-21-22)18-11-14-9-10-15(25-14)12-5-7-13(8-6-12)16(23)24-4-2/h5-10H,3-4,11H2,1-2H3,(H,18,19,21)
InChIKeyUMGJDPLDURMZEB-UHFFFAOYSA-N
XLogP2.74
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[5-[[(1-propyltetrazol-5-yl)amino]methyl]furan-2-yl]benzoic acid
CID 17057729
ethyl 4-[5-[(2,4,4-trimethylpentan-2-ylamino)methyl]furan-2-yl]benzoate;hydrochloride
CID 17331166
ethyl 4-[5-[[2-(2-hydroxypropylamino)ethylamino]methyl]furan-2-yl]benzoate;dihydrochloride
CID 17331156
ethyl 4-[5-[(cyclopropylamino)methyl]furan-2-yl]benzoate
CID 4722679
ethyl 4-[5-[[2-(diethylamino)ethylamino]methyl]furan-2-yl]benzoate;dihydrochloride
CID 17331159
ethyl 4-[5-[(cycloheptylamino)methyl]furan-2-yl]benzoate;hydrochloride
CID 17331161
ethyl 4-[5-[(cyclohexylamino)methyl]furan-2-yl]benzoate
CID 4722636
cyclopropyl-[[5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl]azanium
CID 8617769
ethyl 4-(5-carbonochloridoylfuran-2-yl)benzoate
CID 3131522
ethyl 4-(5-sulfanylfuran-2-yl)benzoate
CID 139299977
[5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl-(furan-2-ylmethyl)azanium
CID 8617875
3-[5-(4-ethoxycarbonylphenyl)furan-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170880471

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-[[(1-ethyltetrazol-5-yl)amino]methyl]furan-2-yl]benzoate?
The IUPAC name of ethyl 4-[5-[[(1-ethyltetrazol-5-yl)amino]methyl]furan-2-yl]benzoate (CID 4726325) is ethyl 4-[5-[[(1-ethyltetrazol-5-yl)amino]methyl]furan-2-yl]benzoate.
What is the SMILES notation for ethyl 4-[5-[[(1-ethyltetrazol-5-yl)amino]methyl]furan-2-yl]benzoate?
The canonical SMILES for ethyl 4-[5-[[(1-ethyltetrazol-5-yl)amino]methyl]furan-2-yl]benzoate is CCOC(=O)c1ccc(-c2ccc(CNc3nnnn3CC)o2)cc1.
What is the InChIKey of ethyl 4-[5-[[(1-ethyltetrazol-5-yl)amino]methyl]furan-2-yl]benzoate?
The InChIKey is UMGJDPLDURMZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-3-22-17(19-20-21-22)18-11-14-9-10-15(25-14)12-5-7-13(8-6-12)16(23)24-4-2/h5-10H,3-4,11H2,1-2H3,(H,18,19,21).
What are the key properties of ethyl 4-[5-[[(1-ethyltetrazol-5-yl)amino]methyl]furan-2-yl]benzoate?
ethyl 4-[5-[[(1-ethyltetrazol-5-yl)amino]methyl]furan-2-yl]benzoate has a molecular weight of 341.37 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-[[(1-ethyltetrazol-5-yl)amino]methyl]furan-2-yl]benzoate is sourced from PubChem (CID 4726325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).