3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole

C15H10FN5OS — CID 8598161

IUPAC3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
SMILESFc1ccc(-c2nnn(Cc3cc(-c4cccs4)on3)n2)cc1
InChIInChI=1S/C15H10FN5OS/c16-11-5-3-10(4-6-11)15-17-20-21(18-15)9-12-8-13(22-19-12)14-2-1-7-23-14/h1-8H,9H2
InChIKeyAXBPVBXSPRQVEM-UHFFFAOYSA-N
MW327.34 g/mol
LogP3.24
Rot. Bonds4

About 3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole

3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole (PubChem CID 8598161) has the molecular formula C15H10FN5OS and a molecular weight of 327.34 g/mol. Its IUPAC name is 3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole.

Molecular Properties

Compound Name3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
PubChem CID8598161
Molecular FormulaC15H10FN5OS
Molecular Weight327.34 g/mol
Exact Mass327.06
IUPAC Name3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
SMILESFc1ccc(-c2nnn(Cc3cc(-c4cccs4)on3)n2)cc1
InChIInChI=1S/C15H10FN5OS/c16-11-5-3-10(4-6-11)15-17-20-21(18-15)9-12-8-13(22-19-12)14-2-1-7-23-14/h1-8H,9H2
InChIKeyAXBPVBXSPRQVEM-UHFFFAOYSA-N
XLogP3.24
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole?
The IUPAC name of 3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole (CID 8598161) is 3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole.
What is the SMILES notation for 3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole?
The canonical SMILES for 3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole is Fc1ccc(-c2nnn(Cc3cc(-c4cccs4)on3)n2)cc1.
What is the InChIKey of 3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole?
The InChIKey is AXBPVBXSPRQVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN5OS/c16-11-5-3-10(4-6-11)15-17-20-21(18-15)9-12-8-13(22-19-12)14-2-1-7-23-14/h1-8H,9H2.
What are the key properties of 3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole?
3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole has a molecular weight of 327.34 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole is sourced from PubChem (CID 8598161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).