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

C13H18N2O3 — CID 129246923

IUPAC2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3,5-dimethoxyaniline
SMILESCOc1cc(N)c(C2=NC(C)(C)CO2)c(OC)c1
InChIInChI=1S/C13H18N2O3/c1-13(2)7-18-12(15-13)11-9(14)5-8(16-3)6-10(11)17-4/h5-6H,7,14H2,1-4H3
InChIKeyQFCIFSMRPYFEGM-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.84
Rot. Bonds3

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

2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3,5-dimethoxyaniline (PubChem CID 129246923) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3,5-dimethoxyaniline.

Molecular Properties

Compound Name2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3,5-dimethoxyaniline
PubChem CID129246923
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3,5-dimethoxyaniline
SMILESCOc1cc(N)c(C2=NC(C)(C)CO2)c(OC)c1
InChIInChI=1S/C13H18N2O3/c1-13(2)7-18-12(15-13)11-9(14)5-8(16-3)6-10(11)17-4/h5-6H,7,14H2,1-4H3
InChIKeyQFCIFSMRPYFEGM-UHFFFAOYSA-N
XLogP1.84
TPSA66.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3,5-dimethoxyaniline 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 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3,5-dimethoxyaniline?
The IUPAC name of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3,5-dimethoxyaniline (CID 129246923) is 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3,5-dimethoxyaniline.
What is the SMILES notation for 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3,5-dimethoxyaniline?
The canonical SMILES for 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3,5-dimethoxyaniline is COc1cc(N)c(C2=NC(C)(C)CO2)c(OC)c1.
What is the InChIKey of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3,5-dimethoxyaniline?
The InChIKey is QFCIFSMRPYFEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-13(2)7-18-12(15-13)11-9(14)5-8(16-3)6-10(11)17-4/h5-6H,7,14H2,1-4H3.
What are the key properties of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3,5-dimethoxyaniline?
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3,5-dimethoxyaniline has a molecular weight of 250.30 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3,5-dimethoxyaniline is sourced from PubChem (CID 129246923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).