3-(2,4-difluoro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine

C12H12F2N2O — CID 117348551

IUPAC3-(2,4-difluoro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine
SMILESCC(C)c1cc(-c2cc(N)on2)c(F)cc1F
InChIInChI=1S/C12H12F2N2O/c1-6(2)7-3-8(10(14)4-9(7)13)11-5-12(15)17-16-11/h3-6H,15H2,1-2H3
InChIKeyKQGAZDGHVVCCML-UHFFFAOYSA-N
MW238.24 g/mol
LogP3.33
Rot. Bonds2

About 3-(2,4-difluoro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine

3-(2,4-difluoro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine (PubChem CID 117348551) has the molecular formula C12H12F2N2O and a molecular weight of 238.24 g/mol. Its IUPAC name is 3-(2,4-difluoro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2,4-difluoro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine
PubChem CID117348551
Molecular FormulaC12H12F2N2O
Molecular Weight238.24 g/mol
Exact Mass238.09
IUPAC Name3-(2,4-difluoro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine
SMILESCC(C)c1cc(-c2cc(N)on2)c(F)cc1F
InChIInChI=1S/C12H12F2N2O/c1-6(2)7-3-8(10(14)4-9(7)13)11-5-12(15)17-16-11/h3-6H,15H2,1-2H3
InChIKeyKQGAZDGHVVCCML-UHFFFAOYSA-N
XLogP3.33
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluoro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(2,4-difluoro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine (CID 117348551) is 3-(2,4-difluoro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2,4-difluoro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2,4-difluoro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine is CC(C)c1cc(-c2cc(N)on2)c(F)cc1F.
What is the InChIKey of 3-(2,4-difluoro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine?
The InChIKey is KQGAZDGHVVCCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O/c1-6(2)7-3-8(10(14)4-9(7)13)11-5-12(15)17-16-11/h3-6H,15H2,1-2H3.
What are the key properties of 3-(2,4-difluoro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine?
3-(2,4-difluoro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine has a molecular weight of 238.24 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluoro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117348551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).