4-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine

C13H14F2N2O3 — CID 117457547

IUPAC4-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine
SMILESCOc1cc(-c2cnoc2N)c(C(C)(F)F)cc1OC
InChIInChI=1S/C13H14F2N2O3/c1-13(14,15)9-5-11(19-3)10(18-2)4-7(9)8-6-17-20-12(8)16/h4-6H,16H2,1-3H3
InChIKeyWJWKTEKHSBHGSM-UHFFFAOYSA-N
MW284.26 g/mol
LogP3.05
Rot. Bonds4

About 4-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine

4-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine (PubChem CID 117457547) has the molecular formula C13H14F2N2O3 and a molecular weight of 284.26 g/mol. Its IUPAC name is 4-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine
PubChem CID117457547
Molecular FormulaC13H14F2N2O3
Molecular Weight284.26 g/mol
Exact Mass284.10
IUPAC Name4-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine
SMILESCOc1cc(-c2cnoc2N)c(C(C)(F)F)cc1OC
InChIInChI=1S/C13H14F2N2O3/c1-13(14,15)9-5-11(19-3)10(18-2)4-7(9)8-6-17-20-12(8)16/h4-6H,16H2,1-3H3
InChIKeyWJWKTEKHSBHGSM-UHFFFAOYSA-N
XLogP3.05
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]-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 4-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine?
The IUPAC name of 4-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine (CID 117457547) is 4-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 4-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 4-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine is COc1cc(-c2cnoc2N)c(C(C)(F)F)cc1OC.
What is the InChIKey of 4-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine?
The InChIKey is WJWKTEKHSBHGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O3/c1-13(14,15)9-5-11(19-3)10(18-2)4-7(9)8-6-17-20-12(8)16/h4-6H,16H2,1-3H3.
What are the key properties of 4-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine?
4-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine has a molecular weight of 284.26 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117457547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).