4-(4,5-dihydro-1,3-oxazol-5-yl)-3-methoxyaniline

C10H12N2O2 — CID 89240357

IUPAC4-(4,5-dihydro-1,3-oxazol-5-yl)-3-methoxyaniline
SMILESCOc1cc(N)ccc1C1CN=CO1
InChIInChI=1S/C10H12N2O2/c1-13-9-4-7(11)2-3-8(9)10-5-12-6-14-10/h2-4,6,10H,5,11H2,1H3
InChIKeyRPIGXLDUOAIGPL-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.38
Rot. Bonds2

About 4-(4,5-dihydro-1,3-oxazol-5-yl)-3-methoxyaniline

4-(4,5-dihydro-1,3-oxazol-5-yl)-3-methoxyaniline (PubChem CID 89240357) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 4-(4,5-dihydro-1,3-oxazol-5-yl)-3-methoxyaniline.

Molecular Properties

Compound Name4-(4,5-dihydro-1,3-oxazol-5-yl)-3-methoxyaniline
PubChem CID89240357
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name4-(4,5-dihydro-1,3-oxazol-5-yl)-3-methoxyaniline
SMILESCOc1cc(N)ccc1C1CN=CO1
InChIInChI=1S/C10H12N2O2/c1-13-9-4-7(11)2-3-8(9)10-5-12-6-14-10/h2-4,6,10H,5,11H2,1H3
InChIKeyRPIGXLDUOAIGPL-UHFFFAOYSA-N
XLogP1.38
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4,5-dihydro-1,3-oxazol-5-yl)-3-methoxyaniline 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-(4,5-dihydro-1,3-oxazol-5-yl)-3-methoxyaniline?
The IUPAC name of 4-(4,5-dihydro-1,3-oxazol-5-yl)-3-methoxyaniline (CID 89240357) is 4-(4,5-dihydro-1,3-oxazol-5-yl)-3-methoxyaniline.
What is the SMILES notation for 4-(4,5-dihydro-1,3-oxazol-5-yl)-3-methoxyaniline?
The canonical SMILES for 4-(4,5-dihydro-1,3-oxazol-5-yl)-3-methoxyaniline is COc1cc(N)ccc1C1CN=CO1.
What is the InChIKey of 4-(4,5-dihydro-1,3-oxazol-5-yl)-3-methoxyaniline?
The InChIKey is RPIGXLDUOAIGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-13-9-4-7(11)2-3-8(9)10-5-12-6-14-10/h2-4,6,10H,5,11H2,1H3.
What are the key properties of 4-(4,5-dihydro-1,3-oxazol-5-yl)-3-methoxyaniline?
4-(4,5-dihydro-1,3-oxazol-5-yl)-3-methoxyaniline has a molecular weight of 192.22 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dihydro-1,3-oxazol-5-yl)-3-methoxyaniline is sourced from PubChem (CID 89240357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).