5-(2-tert-butyl-1,3-oxazol-4-yl)-2-fluoroaniline

C13H15FN2O — CID 115040112

IUPAC5-(2-tert-butyl-1,3-oxazol-4-yl)-2-fluoroaniline
SMILESCC(C)(C)c1nc(-c2ccc(F)c(N)c2)co1
InChIInChI=1S/C13H15FN2O/c1-13(2,3)12-16-11(7-17-12)8-4-5-9(14)10(15)6-8/h4-7H,15H2,1-3H3
InChIKeyWLQNXYGJXHNPFX-UHFFFAOYSA-N
MW234.27 g/mol
LogP3.36
Rot. Bonds1

About 5-(2-tert-butyl-1,3-oxazol-4-yl)-2-fluoroaniline

5-(2-tert-butyl-1,3-oxazol-4-yl)-2-fluoroaniline (PubChem CID 115040112) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 5-(2-tert-butyl-1,3-oxazol-4-yl)-2-fluoroaniline.

Molecular Properties

Compound Name5-(2-tert-butyl-1,3-oxazol-4-yl)-2-fluoroaniline
PubChem CID115040112
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name5-(2-tert-butyl-1,3-oxazol-4-yl)-2-fluoroaniline
SMILESCC(C)(C)c1nc(-c2ccc(F)c(N)c2)co1
InChIInChI=1S/C13H15FN2O/c1-13(2,3)12-16-11(7-17-12)8-4-5-9(14)10(15)6-8/h4-7H,15H2,1-3H3
InChIKeyWLQNXYGJXHNPFX-UHFFFAOYSA-N
XLogP3.36
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-bromophenyl)-2-tert-butyl-1,3-oxazole
CID 119082880
2-fluoro-5-[2-(trifluoromethyl)-1,3-oxazol-4-yl]benzoic acid
CID 115050945
4-[3-(3-amino-4-fluorophenyl)-1H-pyrazol-5-yl]-2-methylbutan-2-ol
CID 141365171
5-(3-amino-4-fluorophenyl)-1H-1,2,4-triazol-3-amine
CID 61319952
4-(3-amino-4-chlorophenyl)-1,3-oxazol-2-amine
CID 115026640
2-fluoro-5-(5-methyl-2-phenyl-1,3-oxazol-4-yl)aniline
CID 115049958
4-(3-amino-4-fluorophenyl)-5-methyl-1H-imidazol-2-amine
CID 115024516
2-fluoro-5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 79953704
2-fluoro-5-(2-methylsulfanylphenyl)aniline
CID 171456179
2-fluoro-5-pyrimidin-5-ylaniline
CID 165490081
[3-[2-(trifluoromethyl)-1,3-oxazol-4-yl]phenyl]methanamine
CID 115044579
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-fluoroaniline
CID 60836564

Frequently Asked Questions

What is the IUPAC name of 5-(2-tert-butyl-1,3-oxazol-4-yl)-2-fluoroaniline?
The IUPAC name of 5-(2-tert-butyl-1,3-oxazol-4-yl)-2-fluoroaniline (CID 115040112) is 5-(2-tert-butyl-1,3-oxazol-4-yl)-2-fluoroaniline.
What is the SMILES notation for 5-(2-tert-butyl-1,3-oxazol-4-yl)-2-fluoroaniline?
The canonical SMILES for 5-(2-tert-butyl-1,3-oxazol-4-yl)-2-fluoroaniline is CC(C)(C)c1nc(-c2ccc(F)c(N)c2)co1.
What is the InChIKey of 5-(2-tert-butyl-1,3-oxazol-4-yl)-2-fluoroaniline?
The InChIKey is WLQNXYGJXHNPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-13(2,3)12-16-11(7-17-12)8-4-5-9(14)10(15)6-8/h4-7H,15H2,1-3H3.
What are the key properties of 5-(2-tert-butyl-1,3-oxazol-4-yl)-2-fluoroaniline?
5-(2-tert-butyl-1,3-oxazol-4-yl)-2-fluoroaniline has a molecular weight of 234.27 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-tert-butyl-1,3-oxazol-4-yl)-2-fluoroaniline is sourced from PubChem (CID 115040112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).