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

C18H11ClF3N5O — CID 155816057

IUPAC3-(3-chlorophenyl)-5-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole
SMILESFC(F)(F)c1cccc(-c2nnn(Cc3cc(-c4cccc(Cl)c4)no3)n2)c1
InChIInChI=1S/C18H11ClF3N5O/c19-14-6-2-3-11(8-14)16-9-15(28-25-16)10-27-24-17(23-26-27)12-4-1-5-13(7-12)18(20,21)22/h1-9H,10H2
InChIKeyFQNXHDBHPTVHKW-UHFFFAOYSA-N
MW405.77 g/mol
LogP4.72
Rot. Bonds4

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

3-(3-chlorophenyl)-5-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole (PubChem CID 155816057) has the molecular formula C18H11ClF3N5O and a molecular weight of 405.77 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole
PubChem CID155816057
Molecular FormulaC18H11ClF3N5O
Molecular Weight405.77 g/mol
Exact Mass405.06
IUPAC Name3-(3-chlorophenyl)-5-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole
SMILESFC(F)(F)c1cccc(-c2nnn(Cc3cc(-c4cccc(Cl)c4)no3)n2)c1
InChIInChI=1S/C18H11ClF3N5O/c19-14-6-2-3-11(8-14)16-9-15(28-25-16)10-27-24-17(23-26-27)12-4-1-5-13(7-12)18(20,21)22/h1-9H,10H2
InChIKeyFQNXHDBHPTVHKW-UHFFFAOYSA-N
XLogP4.72
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.77
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-(3-chlorophenyl)-5-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole (CID 155816057) is 3-(3-chlorophenyl)-5-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-(3-chlorophenyl)-5-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-(3-chlorophenyl)-5-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole is FC(F)(F)c1cccc(-c2nnn(Cc3cc(-c4cccc(Cl)c4)no3)n2)c1.
What is the InChIKey of 3-(3-chlorophenyl)-5-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole?
The InChIKey is FQNXHDBHPTVHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF3N5O/c19-14-6-2-3-11(8-14)16-9-15(28-25-16)10-27-24-17(23-26-27)12-4-1-5-13(7-12)18(20,21)22/h1-9H,10H2.
What are the key properties of 3-(3-chlorophenyl)-5-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole?
3-(3-chlorophenyl)-5-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole has a molecular weight of 405.77 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 155816057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).