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

C13H14F2N2O — CID 54959424

IUPAC4-(3,5-difluorophenyl)-3-(2-methylpropyl)-1,2-oxazol-5-amine
SMILESCC(C)Cc1noc(N)c1-c1cc(F)cc(F)c1
InChIInChI=1S/C13H14F2N2O/c1-7(2)3-11-12(13(16)18-17-11)8-4-9(14)6-10(15)5-8/h4-7H,3,16H2,1-2H3
InChIKeyKISCGVTWYCGLFZ-UHFFFAOYSA-N
MW252.26 g/mol
LogP3.40
Rot. Bonds3

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

4-(3,5-difluorophenyl)-3-(2-methylpropyl)-1,2-oxazol-5-amine (PubChem CID 54959424) has the molecular formula C13H14F2N2O and a molecular weight of 252.26 g/mol. Its IUPAC name is 4-(3,5-difluorophenyl)-3-(2-methylpropyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3,5-difluorophenyl)-3-(2-methylpropyl)-1,2-oxazol-5-amine
PubChem CID54959424
Molecular FormulaC13H14F2N2O
Molecular Weight252.26 g/mol
Exact Mass252.11
IUPAC Name4-(3,5-difluorophenyl)-3-(2-methylpropyl)-1,2-oxazol-5-amine
SMILESCC(C)Cc1noc(N)c1-c1cc(F)cc(F)c1
InChIInChI=1S/C13H14F2N2O/c1-7(2)3-11-12(13(16)18-17-11)8-4-9(14)6-10(15)5-8/h4-7H,3,16H2,1-2H3
InChIKeyKISCGVTWYCGLFZ-UHFFFAOYSA-N
XLogP3.40
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorophenyl)-3-(2-methylpropyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(3,5-difluorophenyl)-3-(2-methylpropyl)-1,2-oxazol-5-amine (CID 54959424) is 4-(3,5-difluorophenyl)-3-(2-methylpropyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3,5-difluorophenyl)-3-(2-methylpropyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3,5-difluorophenyl)-3-(2-methylpropyl)-1,2-oxazol-5-amine is CC(C)Cc1noc(N)c1-c1cc(F)cc(F)c1.
What is the InChIKey of 4-(3,5-difluorophenyl)-3-(2-methylpropyl)-1,2-oxazol-5-amine?
The InChIKey is KISCGVTWYCGLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O/c1-7(2)3-11-12(13(16)18-17-11)8-4-9(14)6-10(15)5-8/h4-7H,3,16H2,1-2H3.
What are the key properties of 4-(3,5-difluorophenyl)-3-(2-methylpropyl)-1,2-oxazol-5-amine?
4-(3,5-difluorophenyl)-3-(2-methylpropyl)-1,2-oxazol-5-amine has a molecular weight of 252.26 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluorophenyl)-3-(2-methylpropyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 54959424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).