3-ethoxy-5-(1,3-oxazol-2-ylsulfanyl)aniline

C11H12N2O2S — CID 106921311

IUPAC3-ethoxy-5-(1,3-oxazol-2-ylsulfanyl)aniline
SMILESCCOc1cc(N)cc(Sc2ncco2)c1
InChIInChI=1S/C11H12N2O2S/c1-2-14-9-5-8(12)6-10(7-9)16-11-13-3-4-15-11/h3-7H,2,12H2,1H3
InChIKeySKUVCSIMEFMPFE-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.81
Rot. Bonds4

About 3-ethoxy-5-(1,3-oxazol-2-ylsulfanyl)aniline

3-ethoxy-5-(1,3-oxazol-2-ylsulfanyl)aniline (PubChem CID 106921311) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 3-ethoxy-5-(1,3-oxazol-2-ylsulfanyl)aniline.

Molecular Properties

Compound Name3-ethoxy-5-(1,3-oxazol-2-ylsulfanyl)aniline
PubChem CID106921311
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name3-ethoxy-5-(1,3-oxazol-2-ylsulfanyl)aniline
SMILESCCOc1cc(N)cc(Sc2ncco2)c1
InChIInChI=1S/C11H12N2O2S/c1-2-14-9-5-8(12)6-10(7-9)16-11-13-3-4-15-11/h3-7H,2,12H2,1H3
InChIKeySKUVCSIMEFMPFE-UHFFFAOYSA-N
XLogP2.81
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-5-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921428
3-ethoxy-5-(4-methylpyrimidin-2-yl)sulfanylaniline
CID 80738164
3-fluoro-5-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921372
3-ethoxy-5-phenylsulfanylaniline
CID 80737383
3,5-diethoxyaniline
CID 22605063
3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921442
[2-(ethoxymethyl)-6-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine
CID 106928791
3-ethoxy-5-methylaniline
CID 67863452
1-[2-(1,3-oxazol-2-ylsulfanyl)phenyl]propan-1-amine
CID 106923086
3-(cyclopentylmethylsulfanyl)-5-ethoxyaniline
CID 80736591
4-methoxy-2-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921313
3-ethoxy-5-pyridin-3-yloxyaniline
CID 80748740

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5-(1,3-oxazol-2-ylsulfanyl)aniline?
The IUPAC name of 3-ethoxy-5-(1,3-oxazol-2-ylsulfanyl)aniline (CID 106921311) is 3-ethoxy-5-(1,3-oxazol-2-ylsulfanyl)aniline.
What is the SMILES notation for 3-ethoxy-5-(1,3-oxazol-2-ylsulfanyl)aniline?
The canonical SMILES for 3-ethoxy-5-(1,3-oxazol-2-ylsulfanyl)aniline is CCOc1cc(N)cc(Sc2ncco2)c1.
What is the InChIKey of 3-ethoxy-5-(1,3-oxazol-2-ylsulfanyl)aniline?
The InChIKey is SKUVCSIMEFMPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-2-14-9-5-8(12)6-10(7-9)16-11-13-3-4-15-11/h3-7H,2,12H2,1H3.
What are the key properties of 3-ethoxy-5-(1,3-oxazol-2-ylsulfanyl)aniline?
3-ethoxy-5-(1,3-oxazol-2-ylsulfanyl)aniline has a molecular weight of 236.30 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-(1,3-oxazol-2-ylsulfanyl)aniline is sourced from PubChem (CID 106921311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).