3-[2-(2-fluoropropan-2-yl)phenyl]-1,2-oxazol-5-amine

C12H13FN2O — CID 117314022

IUPAC3-[2-(2-fluoropropan-2-yl)phenyl]-1,2-oxazol-5-amine
SMILESCC(C)(F)c1ccccc1-c1cc(N)on1
InChIInChI=1S/C12H13FN2O/c1-12(2,13)9-6-4-3-5-8(9)10-7-11(14)16-15-10/h3-7H,14H2,1-2H3
InChIKeyJWACVGWBAULRPN-UHFFFAOYSA-N
MW220.25 g/mol
LogP3.13
Rot. Bonds2

About 3-[2-(2-fluoropropan-2-yl)phenyl]-1,2-oxazol-5-amine

3-[2-(2-fluoropropan-2-yl)phenyl]-1,2-oxazol-5-amine (PubChem CID 117314022) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 3-[2-(2-fluoropropan-2-yl)phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[2-(2-fluoropropan-2-yl)phenyl]-1,2-oxazol-5-amine
PubChem CID117314022
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name3-[2-(2-fluoropropan-2-yl)phenyl]-1,2-oxazol-5-amine
SMILESCC(C)(F)c1ccccc1-c1cc(N)on1
InChIInChI=1S/C12H13FN2O/c1-12(2,13)9-6-4-3-5-8(9)10-7-11(14)16-15-10/h3-7H,14H2,1-2H3
InChIKeyJWACVGWBAULRPN-UHFFFAOYSA-N
XLogP3.13
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-(2-fluoropropan-2-yl)phenyl]-1,2-oxazol-5-amine 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 3-[2-(2-fluoropropan-2-yl)phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 3-[2-(2-fluoropropan-2-yl)phenyl]-1,2-oxazol-5-amine (CID 117314022) is 3-[2-(2-fluoropropan-2-yl)phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[2-(2-fluoropropan-2-yl)phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-[2-(2-fluoropropan-2-yl)phenyl]-1,2-oxazol-5-amine is CC(C)(F)c1ccccc1-c1cc(N)on1.
What is the InChIKey of 3-[2-(2-fluoropropan-2-yl)phenyl]-1,2-oxazol-5-amine?
The InChIKey is JWACVGWBAULRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-12(2,13)9-6-4-3-5-8(9)10-7-11(14)16-15-10/h3-7H,14H2,1-2H3.
What are the key properties of 3-[2-(2-fluoropropan-2-yl)phenyl]-1,2-oxazol-5-amine?
3-[2-(2-fluoropropan-2-yl)phenyl]-1,2-oxazol-5-amine has a molecular weight of 220.25 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluoropropan-2-yl)phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117314022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).