methyl 5-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]furan-2-carboxylate

C14H11FN4O3 — CID 7987708

IUPACmethyl 5-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(Cn2nnc(-c3ccc(F)cc3)n2)o1
InChIInChI=1S/C14H11FN4O3/c1-21-14(20)12-7-6-11(22-12)8-19-17-13(16-18-19)9-2-4-10(15)5-3-9/h2-7H,8H2,1H3
InChIKeyLRGOZXYQVKHGBW-UHFFFAOYSA-N
MW302.27 g/mol
LogP1.91
Rot. Bonds4

About methyl 5-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]furan-2-carboxylate

methyl 5-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]furan-2-carboxylate (PubChem CID 7987708) has the molecular formula C14H11FN4O3 and a molecular weight of 302.27 g/mol. Its IUPAC name is methyl 5-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]furan-2-carboxylate
PubChem CID7987708
Molecular FormulaC14H11FN4O3
Molecular Weight302.27 g/mol
Exact Mass302.08
IUPAC Namemethyl 5-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(Cn2nnc(-c3ccc(F)cc3)n2)o1
InChIInChI=1S/C14H11FN4O3/c1-21-14(20)12-7-6-11(22-12)8-19-17-13(16-18-19)9-2-4-10(15)5-3-9/h2-7H,8H2,1H3
InChIKeyLRGOZXYQVKHGBW-UHFFFAOYSA-N
XLogP1.91
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.27
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

dimethyl 5-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 7713251
methyl 4-[2-(2,2-difluoroethyl)tetrazol-5-yl]benzoate
CID 71999533
ethyl 5-[[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]methyl]furan-2-carboxylate
CID 1262815
4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]aniline
CID 1463675
methyl 5-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate
CID 652979
N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7995467
methyl 5-[[4-bromo-3,5-bis(4-methylphenyl)pyrazol-1-yl]methyl]furan-2-carboxylate
CID 17025336
methyl 3-[5-(4-ethylphenyl)tetrazol-2-yl]propanoate
CID 647427
methyl 5-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]furan-2-carboxylate
CID 56884158
(5-methoxycarbonylfuran-2-yl)methyl 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8513422
4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]benzonitrile
CID 7713290
2-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole
CID 16610877

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]furan-2-carboxylate (CID 7987708) is methyl 5-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]furan-2-carboxylate is COC(=O)c1ccc(Cn2nnc(-c3ccc(F)cc3)n2)o1.
What is the InChIKey of methyl 5-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]furan-2-carboxylate?
The InChIKey is LRGOZXYQVKHGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O3/c1-21-14(20)12-7-6-11(22-12)8-19-17-13(16-18-19)9-2-4-10(15)5-3-9/h2-7H,8H2,1H3.
What are the key properties of methyl 5-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]furan-2-carboxylate?
methyl 5-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]furan-2-carboxylate has a molecular weight of 302.27 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]furan-2-carboxylate is sourced from PubChem (CID 7987708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).