2-[2-[1-[4-tert-butyl-2-(tetrazol-1-yl)phenyl]-2-methylpropan-2-yl]-6-fluorophenyl]-1,3-oxazole

C24H26FN5O — CID 170122320

IUPAC2-[2-[1-[4-tert-butyl-2-(tetrazol-1-yl)phenyl]-2-methylpropan-2-yl]-6-fluorophenyl]-1,3-oxazole
SMILESCC(C)(C)c1ccc(CC(C)(C)c2cccc(F)c2-c2ncco2)c(-n2cnnn2)c1
InChIInChI=1S/C24H26FN5O/c1-23(2,3)17-10-9-16(20(13-17)30-15-27-28-29-30)14-24(4,5)18-7-6-8-19(25)21(18)22-26-11-12-31-22/h6-13,15H,14H2,1-5H3
InChIKeyPGOVRERCEVJZRI-UHFFFAOYSA-N
MW419.50 g/mol
LogP5.27
Rot. Bonds5

About 2-[2-[1-[4-tert-butyl-2-(tetrazol-1-yl)phenyl]-2-methylpropan-2-yl]-6-fluorophenyl]-1,3-oxazole

2-[2-[1-[4-tert-butyl-2-(tetrazol-1-yl)phenyl]-2-methylpropan-2-yl]-6-fluorophenyl]-1,3-oxazole (PubChem CID 170122320) has the molecular formula C24H26FN5O and a molecular weight of 419.50 g/mol. Its IUPAC name is 2-[2-[1-[4-tert-butyl-2-(tetrazol-1-yl)phenyl]-2-methylpropan-2-yl]-6-fluorophenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[2-[1-[4-tert-butyl-2-(tetrazol-1-yl)phenyl]-2-methylpropan-2-yl]-6-fluorophenyl]-1,3-oxazole
PubChem CID170122320
Molecular FormulaC24H26FN5O
Molecular Weight419.50 g/mol
Exact Mass419.21
IUPAC Name2-[2-[1-[4-tert-butyl-2-(tetrazol-1-yl)phenyl]-2-methylpropan-2-yl]-6-fluorophenyl]-1,3-oxazole
SMILESCC(C)(C)c1ccc(CC(C)(C)c2cccc(F)c2-c2ncco2)c(-n2cnnn2)c1
InChIInChI=1S/C24H26FN5O/c1-23(2,3)17-10-9-16(20(13-17)30-15-27-28-29-30)14-24(4,5)18-7-6-8-19(25)21(18)22-26-11-12-31-22/h6-13,15H,14H2,1-5H3
InChIKeyPGOVRERCEVJZRI-UHFFFAOYSA-N
XLogP5.27
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.50
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-[4-tert-butyl-2-(tetrazol-1-yl)phenyl]-2-methylpropan-2-yl]-6-fluorophenyl]-1,3-oxazole?
The IUPAC name of 2-[2-[1-[4-tert-butyl-2-(tetrazol-1-yl)phenyl]-2-methylpropan-2-yl]-6-fluorophenyl]-1,3-oxazole (CID 170122320) is 2-[2-[1-[4-tert-butyl-2-(tetrazol-1-yl)phenyl]-2-methylpropan-2-yl]-6-fluorophenyl]-1,3-oxazole.
What is the SMILES notation for 2-[2-[1-[4-tert-butyl-2-(tetrazol-1-yl)phenyl]-2-methylpropan-2-yl]-6-fluorophenyl]-1,3-oxazole?
The canonical SMILES for 2-[2-[1-[4-tert-butyl-2-(tetrazol-1-yl)phenyl]-2-methylpropan-2-yl]-6-fluorophenyl]-1,3-oxazole is CC(C)(C)c1ccc(CC(C)(C)c2cccc(F)c2-c2ncco2)c(-n2cnnn2)c1.
What is the InChIKey of 2-[2-[1-[4-tert-butyl-2-(tetrazol-1-yl)phenyl]-2-methylpropan-2-yl]-6-fluorophenyl]-1,3-oxazole?
The InChIKey is PGOVRERCEVJZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O/c1-23(2,3)17-10-9-16(20(13-17)30-15-27-28-29-30)14-24(4,5)18-7-6-8-19(25)21(18)22-26-11-12-31-22/h6-13,15H,14H2,1-5H3.
What are the key properties of 2-[2-[1-[4-tert-butyl-2-(tetrazol-1-yl)phenyl]-2-methylpropan-2-yl]-6-fluorophenyl]-1,3-oxazole?
2-[2-[1-[4-tert-butyl-2-(tetrazol-1-yl)phenyl]-2-methylpropan-2-yl]-6-fluorophenyl]-1,3-oxazole has a molecular weight of 419.50 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-[4-tert-butyl-2-(tetrazol-1-yl)phenyl]-2-methylpropan-2-yl]-6-fluorophenyl]-1,3-oxazole is sourced from PubChem (CID 170122320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).