5-phenyl-3-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole

C18H12F3N5O — CID 8681650

IUPAC5-phenyl-3-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole
SMILESFC(F)(F)c1cccc(-c2nnn(Cc3cc(-c4ccccc4)on3)n2)c1
InChIInChI=1S/C18H12F3N5O/c19-18(20,21)14-8-4-7-13(9-14)17-22-25-26(23-17)11-15-10-16(27-24-15)12-5-2-1-3-6-12/h1-10H,11H2
InChIKeyCXDWQYXQNPREIK-UHFFFAOYSA-N
MW371.32 g/mol
LogP4.06
Rot. Bonds4

About 5-phenyl-3-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole

5-phenyl-3-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole (PubChem CID 8681650) has the molecular formula C18H12F3N5O and a molecular weight of 371.32 g/mol. Its IUPAC name is 5-phenyl-3-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-phenyl-3-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole
PubChem CID8681650
Molecular FormulaC18H12F3N5O
Molecular Weight371.32 g/mol
Exact Mass371.10
IUPAC Name5-phenyl-3-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole
SMILESFC(F)(F)c1cccc(-c2nnn(Cc3cc(-c4ccccc4)on3)n2)c1
InChIInChI=1S/C18H12F3N5O/c19-18(20,21)14-8-4-7-13(9-14)17-22-25-26(23-17)11-15-10-16(27-24-15)12-5-2-1-3-6-12/h1-10H,11H2
InChIKeyCXDWQYXQNPREIK-UHFFFAOYSA-N
XLogP4.06
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Mls003106409
CID 290588
5-[5-(3-Nitro-phenyl)-isoxazol-3-yl]-1H-tetrazole
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CID 8002350
3-(3-Chlorophenyl)-5-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole
CID 155816057
1-[5-(4-Fluorophenyl)-1,2-oxazol-3-yl]-4-(tetrazol-2-yl)butan-1-one
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5-Methyl-3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole
CID 7630479
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CID 129769909
3-[[5-(4-Fluorophenyl)tetrazol-2-yl]methyl]-5-methyl-1,2-oxazole
CID 7630692
3-[[5-(4-Fluorophenyl)tetrazol-2-yl]methyl]-5-phenyl-1,2-oxazole
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5-(4-Fluorophenyl)-3-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-4-methyl-1,2-oxazole
CID 8598247
5-Thiophen-2-yl-3-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole
CID 8681628
5-(4-Fluorophenyl)-4-methyl-3-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole
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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-phenyl-3-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole (CID 8681650) is 5-phenyl-3-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-phenyl-3-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-phenyl-3-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole is FC(F)(F)c1cccc(-c2nnn(Cc3cc(-c4ccccc4)on3)n2)c1.
What is the InChIKey of 5-phenyl-3-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole?
The InChIKey is CXDWQYXQNPREIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N5O/c19-18(20,21)14-8-4-7-13(9-14)17-22-25-26(23-17)11-15-10-16(27-24-15)12-5-2-1-3-6-12/h1-10H,11H2.
What are the key properties of 5-phenyl-3-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole?
5-phenyl-3-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole has a molecular weight of 371.32 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 8681650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).