ethyl 2-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]furan-3-carboxylate

C15H13FN4O3 — CID 17458668

IUPACethyl 2-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]furan-3-carboxylate
SMILESCCOC(=O)c1ccoc1Cn1nnc(-c2cccc(F)c2)n1
InChIInChI=1S/C15H13FN4O3/c1-2-22-15(21)12-6-7-23-13(12)9-20-18-14(17-19-20)10-4-3-5-11(16)8-10/h3-8H,2,9H2,1H3
InChIKeyPSEMXTGMYBDEOK-UHFFFAOYSA-N
MW316.29 g/mol
LogP2.30
Rot. Bonds5

About ethyl 2-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]furan-3-carboxylate

ethyl 2-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]furan-3-carboxylate (PubChem CID 17458668) has the molecular formula C15H13FN4O3 and a molecular weight of 316.29 g/mol. Its IUPAC name is ethyl 2-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]furan-3-carboxylate
PubChem CID17458668
Molecular FormulaC15H13FN4O3
Molecular Weight316.29 g/mol
Exact Mass316.10
IUPAC Nameethyl 2-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]furan-3-carboxylate
SMILESCCOC(=O)c1ccoc1Cn1nnc(-c2cccc(F)c2)n1
InChIInChI=1S/C15H13FN4O3/c1-2-22-15(21)12-6-7-23-13(12)9-20-18-14(17-19-20)10-4-3-5-11(16)8-10/h3-8H,2,9H2,1H3
InChIKeyPSEMXTGMYBDEOK-UHFFFAOYSA-N
XLogP2.30
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[(5-phenyltetrazol-2-yl)methyl]furan-3-carboxylate
CID 134024131
2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 30823221
1-(3-fluorophenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]ethanone
CID 8676792
ethyl 5-(3-fluorophenyl)-1,2-oxazole-4-carboxylate
CID 22831692
4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]pyridine
CID 47037035
ethyl 6-(3-fluorophenyl)-2-methylpyridine-3-carboxylate
CID 69039398
ethyl 4-(difluoromethyl)-2-(3-fluorophenyl)pyrimidine-5-carboxylate
CID 102973187
N-ethyl-2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-naphthalen-1-ylacetamide
CID 8023933
ethyl 2-[[4-(3-fluorophenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-3-carboxylate
CID 27777855
N-(5-fluoro-2-methylphenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 18171626
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylpropyl)acetamide
CID 30823164
2-[2-(3-ethylphenoxy)ethyl]-5-(3-fluorophenyl)tetrazole
CID 112769919

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]furan-3-carboxylate?
The IUPAC name of ethyl 2-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]furan-3-carboxylate (CID 17458668) is ethyl 2-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]furan-3-carboxylate.
What is the SMILES notation for ethyl 2-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]furan-3-carboxylate?
The canonical SMILES for ethyl 2-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]furan-3-carboxylate is CCOC(=O)c1ccoc1Cn1nnc(-c2cccc(F)c2)n1.
What is the InChIKey of ethyl 2-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]furan-3-carboxylate?
The InChIKey is PSEMXTGMYBDEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O3/c1-2-22-15(21)12-6-7-23-13(12)9-20-18-14(17-19-20)10-4-3-5-11(16)8-10/h3-8H,2,9H2,1H3.
What are the key properties of ethyl 2-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]furan-3-carboxylate?
ethyl 2-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]furan-3-carboxylate has a molecular weight of 316.29 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]furan-3-carboxylate is sourced from PubChem (CID 17458668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).