2-ethoxy-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline

C12H14N2O2S — CID 106921549

IUPAC2-ethoxy-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
SMILESCCOc1cc(Sc2nc(C)co2)ccc1N
InChIInChI=1S/C12H14N2O2S/c1-3-15-11-6-9(4-5-10(11)13)17-12-14-8(2)7-16-12/h4-7H,3,13H2,1-2H3
InChIKeyOJECZLGRQWKCMD-UHFFFAOYSA-N
MW250.32 g/mol
LogP3.12
Rot. Bonds4

About 2-ethoxy-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline

2-ethoxy-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline (PubChem CID 106921549) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-ethoxy-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline.

Molecular Properties

Compound Name2-ethoxy-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
PubChem CID106921549
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name2-ethoxy-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
SMILESCCOc1cc(Sc2nc(C)co2)ccc1N
InChIInChI=1S/C12H14N2O2S/c1-3-15-11-6-9(4-5-10(11)13)17-12-14-8(2)7-16-12/h4-7H,3,13H2,1-2H3
InChIKeyOJECZLGRQWKCMD-UHFFFAOYSA-N
XLogP3.12
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-ethoxy-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline 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-ethoxy-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
The IUPAC name of 2-ethoxy-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline (CID 106921549) is 2-ethoxy-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline.
What is the SMILES notation for 2-ethoxy-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
The canonical SMILES for 2-ethoxy-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline is CCOc1cc(Sc2nc(C)co2)ccc1N.
What is the InChIKey of 2-ethoxy-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
The InChIKey is OJECZLGRQWKCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-3-15-11-6-9(4-5-10(11)13)17-12-14-8(2)7-16-12/h4-7H,3,13H2,1-2H3.
What are the key properties of 2-ethoxy-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
2-ethoxy-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline has a molecular weight of 250.32 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline is sourced from PubChem (CID 106921549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).