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

C10H10N2O2S — CID 106921428

IUPAC3-methoxy-5-(1,3-oxazol-2-ylsulfanyl)aniline
SMILESCOc1cc(N)cc(Sc2ncco2)c1
InChIInChI=1S/C10H10N2O2S/c1-13-8-4-7(11)5-9(6-8)15-10-12-2-3-14-10/h2-6H,11H2,1H3
InChIKeyOAQJCZOKGUIPJT-UHFFFAOYSA-N
MW222.27 g/mol
LogP2.42
Rot. Bonds3

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

3-methoxy-5-(1,3-oxazol-2-ylsulfanyl)aniline (PubChem CID 106921428) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 3-methoxy-5-(1,3-oxazol-2-ylsulfanyl)aniline.

Molecular Properties

Compound Name3-methoxy-5-(1,3-oxazol-2-ylsulfanyl)aniline
PubChem CID106921428
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name3-methoxy-5-(1,3-oxazol-2-ylsulfanyl)aniline
SMILESCOc1cc(N)cc(Sc2ncco2)c1
InChIInChI=1S/C10H10N2O2S/c1-13-8-4-7(11)5-9(6-8)15-10-12-2-3-14-10/h2-6H,11H2,1H3
InChIKeyOAQJCZOKGUIPJT-UHFFFAOYSA-N
XLogP2.42
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 52.42
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-ethoxy-5-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921311
3-fluoro-5-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921372
3-methoxy-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline
CID 80737546
4-methoxy-2-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921313
3-methoxy-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]aniline
CID 104602844
3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921442
3-methoxy-5-(1-methyltetrazol-5-yl)sulfanylaniline
CID 80737766
4-methoxy-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
CID 106922784
3-(4-methylpyrimidin-2-yl)sulfanyl-5-propan-2-yloxyaniline
CID 80738033
3-ethoxy-5-(4-methylpyrimidin-2-yl)sulfanylaniline
CID 80738164
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-5-methoxyaniline
CID 115479704
5-(1,3-oxazol-2-ylsulfanyl)pyrazin-2-amine
CID 106928163

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-(1,3-oxazol-2-ylsulfanyl)aniline?
The IUPAC name of 3-methoxy-5-(1,3-oxazol-2-ylsulfanyl)aniline (CID 106921428) is 3-methoxy-5-(1,3-oxazol-2-ylsulfanyl)aniline.
What is the SMILES notation for 3-methoxy-5-(1,3-oxazol-2-ylsulfanyl)aniline?
The canonical SMILES for 3-methoxy-5-(1,3-oxazol-2-ylsulfanyl)aniline is COc1cc(N)cc(Sc2ncco2)c1.
What is the InChIKey of 3-methoxy-5-(1,3-oxazol-2-ylsulfanyl)aniline?
The InChIKey is OAQJCZOKGUIPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-13-8-4-7(11)5-9(6-8)15-10-12-2-3-14-10/h2-6H,11H2,1H3.
What are the key properties of 3-methoxy-5-(1,3-oxazol-2-ylsulfanyl)aniline?
3-methoxy-5-(1,3-oxazol-2-ylsulfanyl)aniline has a molecular weight of 222.27 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-(1,3-oxazol-2-ylsulfanyl)aniline is sourced from PubChem (CID 106921428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).