3-(4,5-dimethyl-1,3-oxazol-2-yl)-2,4-difluoroaniline

C11H10F2N2O — CID 79773558

IUPAC3-(4,5-dimethyl-1,3-oxazol-2-yl)-2,4-difluoroaniline
SMILESCc1nc(-c2c(F)ccc(N)c2F)oc1C
InChIInChI=1S/C11H10F2N2O/c1-5-6(2)16-11(15-5)9-7(12)3-4-8(14)10(9)13/h3-4H,14H2,1-2H3
InChIKeyDOAFJUCCOSLVKD-UHFFFAOYSA-N
MW224.21 g/mol
LogP2.82
Rot. Bonds1

About 3-(4,5-dimethyl-1,3-oxazol-2-yl)-2,4-difluoroaniline

3-(4,5-dimethyl-1,3-oxazol-2-yl)-2,4-difluoroaniline (PubChem CID 79773558) has the molecular formula C11H10F2N2O and a molecular weight of 224.21 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1,3-oxazol-2-yl)-2,4-difluoroaniline.

Molecular Properties

Compound Name3-(4,5-dimethyl-1,3-oxazol-2-yl)-2,4-difluoroaniline
PubChem CID79773558
Molecular FormulaC11H10F2N2O
Molecular Weight224.21 g/mol
Exact Mass224.08
IUPAC Name3-(4,5-dimethyl-1,3-oxazol-2-yl)-2,4-difluoroaniline
SMILESCc1nc(-c2c(F)ccc(N)c2F)oc1C
InChIInChI=1S/C11H10F2N2O/c1-5-6(2)16-11(15-5)9-7(12)3-4-8(14)10(9)13/h3-4H,14H2,1-2H3
InChIKeyDOAFJUCCOSLVKD-UHFFFAOYSA-N
XLogP2.82
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-(4,5-dimethyl-1,3-oxazol-2-yl)-2,4-difluoroaniline 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-(4,5-dimethyl-1,3-oxazol-2-yl)-2,4-difluoroaniline?
The IUPAC name of 3-(4,5-dimethyl-1,3-oxazol-2-yl)-2,4-difluoroaniline (CID 79773558) is 3-(4,5-dimethyl-1,3-oxazol-2-yl)-2,4-difluoroaniline.
What is the SMILES notation for 3-(4,5-dimethyl-1,3-oxazol-2-yl)-2,4-difluoroaniline?
The canonical SMILES for 3-(4,5-dimethyl-1,3-oxazol-2-yl)-2,4-difluoroaniline is Cc1nc(-c2c(F)ccc(N)c2F)oc1C.
What is the InChIKey of 3-(4,5-dimethyl-1,3-oxazol-2-yl)-2,4-difluoroaniline?
The InChIKey is DOAFJUCCOSLVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O/c1-5-6(2)16-11(15-5)9-7(12)3-4-8(14)10(9)13/h3-4H,14H2,1-2H3.
What are the key properties of 3-(4,5-dimethyl-1,3-oxazol-2-yl)-2,4-difluoroaniline?
3-(4,5-dimethyl-1,3-oxazol-2-yl)-2,4-difluoroaniline has a molecular weight of 224.21 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1,3-oxazol-2-yl)-2,4-difluoroaniline is sourced from PubChem (CID 79773558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).