5-tert-butyl-2-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-oxazole

C15H16FN5O — CID 47026357

IUPAC5-tert-butyl-2-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-oxazole
SMILESCC(C)(C)c1cnc(Cn2nnc(-c3cccc(F)c3)n2)o1
InChIInChI=1S/C15H16FN5O/c1-15(2,3)12-8-17-13(22-12)9-21-19-14(18-20-21)10-5-4-6-11(16)7-10/h4-8H,9H2,1-3H3
InChIKeyDVBRUASUOBUWFK-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.81
Rot. Bonds3

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

5-tert-butyl-2-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-oxazole (PubChem CID 47026357) has the molecular formula C15H16FN5O and a molecular weight of 301.32 g/mol. Its IUPAC name is 5-tert-butyl-2-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-tert-butyl-2-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-oxazole
PubChem CID47026357
Molecular FormulaC15H16FN5O
Molecular Weight301.32 g/mol
Exact Mass301.13
IUPAC Name5-tert-butyl-2-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-oxazole
SMILESCC(C)(C)c1cnc(Cn2nnc(-c3cccc(F)c3)n2)o1
InChIInChI=1S/C15H16FN5O/c1-15(2,3)12-8-17-13(22-12)9-21-19-14(18-20-21)10-5-4-6-11(16)7-10/h4-8H,9H2,1-3H3
InChIKeyDVBRUASUOBUWFK-UHFFFAOYSA-N
XLogP2.81
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-tert-butyl-2-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-oxazole?
The IUPAC name of 5-tert-butyl-2-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-oxazole (CID 47026357) is 5-tert-butyl-2-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 5-tert-butyl-2-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-oxazole?
The canonical SMILES for 5-tert-butyl-2-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-oxazole is CC(C)(C)c1cnc(Cn2nnc(-c3cccc(F)c3)n2)o1.
What is the InChIKey of 5-tert-butyl-2-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-oxazole?
The InChIKey is DVBRUASUOBUWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O/c1-15(2,3)12-8-17-13(22-12)9-21-19-14(18-20-21)10-5-4-6-11(16)7-10/h4-8H,9H2,1-3H3.
What are the key properties of 5-tert-butyl-2-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-oxazole?
5-tert-butyl-2-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-oxazole has a molecular weight of 301.32 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 47026357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).