5-(3-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethyl]tetrazole

C16H15FN4O2 — CID 9397244

IUPAC5-(3-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethyl]tetrazole
SMILESCOc1ccc(OCCn2nnc(-c3cccc(F)c3)n2)cc1
InChIInChI=1S/C16H15FN4O2/c1-22-14-5-7-15(8-6-14)23-10-9-21-19-16(18-20-21)12-3-2-4-13(17)11-12/h2-8,11H,9-10H2,1H3
InChIKeyDKJIGPDEBGTYPP-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.57
Rot. Bonds6

About 5-(3-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethyl]tetrazole

5-(3-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethyl]tetrazole (PubChem CID 9397244) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethyl]tetrazole.

Molecular Properties

Compound Name5-(3-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethyl]tetrazole
PubChem CID9397244
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC Name5-(3-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethyl]tetrazole
SMILESCOc1ccc(OCCn2nnc(-c3cccc(F)c3)n2)cc1
InChIInChI=1S/C16H15FN4O2/c1-22-14-5-7-15(8-6-14)23-10-9-21-19-16(18-20-21)12-3-2-4-13(17)11-12/h2-8,11H,9-10H2,1H3
InChIKeyDKJIGPDEBGTYPP-UHFFFAOYSA-N
XLogP2.57
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(3-ethylphenoxy)ethyl]-5-(3-fluorophenyl)tetrazole
CID 112769919
2-[2-(4-methoxyphenoxy)ethyl]-5-(4-propan-2-ylphenyl)tetrazole
CID 18286516
2-[2-(2,5-dimethylphenoxy)ethyl]-5-(3-methoxyphenyl)tetrazole
CID 36657770
2-[2-(3-bromophenoxy)ethyl]-5-(4-fluorophenyl)tetrazole
CID 7465856
methyl 4-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethoxy]benzoate
CID 55841019
N-(2,4-dimethoxyphenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 7490967
4-[2-[5-(3-chlorophenyl)tetrazol-2-yl]ethoxy]-N,N-dimethylbenzenesulfonamide
CID 24558209
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-phenoxyethyl)acetamide
CID 8586996
propan-2-yl 3-[2-(2-phenoxyethyl)tetrazol-5-yl]benzoate
CID 51582592
5-(3-ethynylphenyl)-2-[(4-methoxyphenyl)methyl]tetrazole
CID 139773547
2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 30823221
5-(3,4-dimethoxyphenyl)-2-[2-(2-methylphenoxy)ethyl]tetrazole
CID 52615802

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethyl]tetrazole?
The IUPAC name of 5-(3-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethyl]tetrazole (CID 9397244) is 5-(3-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethyl]tetrazole.
What is the SMILES notation for 5-(3-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethyl]tetrazole?
The canonical SMILES for 5-(3-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethyl]tetrazole is COc1ccc(OCCn2nnc(-c3cccc(F)c3)n2)cc1.
What is the InChIKey of 5-(3-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethyl]tetrazole?
The InChIKey is DKJIGPDEBGTYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2/c1-22-14-5-7-15(8-6-14)23-10-9-21-19-16(18-20-21)12-3-2-4-13(17)11-12/h2-8,11H,9-10H2,1H3.
What are the key properties of 5-(3-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethyl]tetrazole?
5-(3-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethyl]tetrazole has a molecular weight of 314.32 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethyl]tetrazole is sourced from PubChem (CID 9397244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).