5-tert-butyl-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine

C13H14F2N2O — CID 66203816

IUPAC5-tert-butyl-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine
SMILESCC(C)(C)c1onc(N)c1-c1ccc(F)cc1F
InChIInChI=1S/C13H14F2N2O/c1-13(2,3)11-10(12(16)17-18-11)8-5-4-7(14)6-9(8)15/h4-6H,1-3H3,(H2,16,17)
InChIKeyLKINAKNPKUXAEX-UHFFFAOYSA-N
MW252.26 g/mol
LogP3.50
Rot. Bonds1

About 5-tert-butyl-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine

5-tert-butyl-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine (PubChem CID 66203816) has the molecular formula C13H14F2N2O and a molecular weight of 252.26 g/mol. Its IUPAC name is 5-tert-butyl-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-tert-butyl-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine
PubChem CID66203816
Molecular FormulaC13H14F2N2O
Molecular Weight252.26 g/mol
Exact Mass252.11
IUPAC Name5-tert-butyl-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine
SMILESCC(C)(C)c1onc(N)c1-c1ccc(F)cc1F
InChIInChI=1S/C13H14F2N2O/c1-13(2,3)11-10(12(16)17-18-11)8-5-4-7(14)6-9(8)15/h4-6H,1-3H3,(H2,16,17)
InChIKeyLKINAKNPKUXAEX-UHFFFAOYSA-N
XLogP3.50
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,4-difluorophenyl)-5-phenyl-1,2-oxazol-3-amine
CID 66204007
4-(2,4-difluorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine
CID 66201498
4-(2,4-difluorophenyl)-5-pyridin-4-yl-1,2-oxazol-3-amine
CID 66201497
5-(2,4-difluorophenyl)-4-methyl-1,2-oxazol-3-amine
CID 66199002
4-(2,4-difluorophenyl)-5-(3-methylthiophen-2-yl)-1,2-oxazol-3-amine
CID 66202081
4-(2,4-difluorophenyl)-5-(4-iodophenyl)-1,2-oxazol-3-amine
CID 66201692
4-(2,4-difluorophenyl)-5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-amine
CID 104643350
4-(2,4-difluorophenyl)-5-(2-iodophenyl)-1,2-oxazol-3-amine
CID 66202082
4-(2,4-difluorophenyl)-5-(furan-2-yl)-1,2-oxazol-3-amine
CID 66201306
5-(2-chlorophenyl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine
CID 66202274
4-(2,4-difluorophenyl)-5-(2,2-dimethylcyclopentyl)-1,2-oxazol-3-amine
CID 107186064
5-(3-chloro-4-methylthiophen-2-yl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine
CID 103407025

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-tert-butyl-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine (CID 66203816) is 5-tert-butyl-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-tert-butyl-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-tert-butyl-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine is CC(C)(C)c1onc(N)c1-c1ccc(F)cc1F.
What is the InChIKey of 5-tert-butyl-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine?
The InChIKey is LKINAKNPKUXAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O/c1-13(2,3)11-10(12(16)17-18-11)8-5-4-7(14)6-9(8)15/h4-6H,1-3H3,(H2,16,17).
What are the key properties of 5-tert-butyl-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine?
5-tert-butyl-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine has a molecular weight of 252.26 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66203816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).