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

C10H10N2O2S — CID 106921313

IUPAC4-methoxy-2-(1,3-oxazol-2-ylsulfanyl)aniline
SMILESCOc1ccc(N)c(Sc2ncco2)c1
InChIInChI=1S/C10H10N2O2S/c1-13-7-2-3-8(11)9(6-7)15-10-12-4-5-14-10/h2-6H,11H2,1H3
InChIKeyUADFWSZOQROAAR-UHFFFAOYSA-N
MW222.27 g/mol
LogP2.42
Rot. Bonds3

About 4-methoxy-2-(1,3-oxazol-2-ylsulfanyl)aniline

4-methoxy-2-(1,3-oxazol-2-ylsulfanyl)aniline (PubChem CID 106921313) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 4-methoxy-2-(1,3-oxazol-2-ylsulfanyl)aniline.

Molecular Properties

Compound Name4-methoxy-2-(1,3-oxazol-2-ylsulfanyl)aniline
PubChem CID106921313
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name4-methoxy-2-(1,3-oxazol-2-ylsulfanyl)aniline
SMILESCOc1ccc(N)c(Sc2ncco2)c1
InChIInChI=1S/C10H10N2O2S/c1-13-7-2-3-8(11)9(6-7)15-10-12-4-5-14-10/h2-6H,11H2,1H3
InChIKeyUADFWSZOQROAAR-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

4-methoxy-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
CID 106922784
4-methoxy-2-(2-methylfuran-3-yl)sulfanylaniline
CID 107779499
3-methoxy-5-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921428
5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921307
2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-4-methoxyaniline
CID 79763990
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-4-methoxyaniline
CID 115478329
1-(2,4-dimethoxyphenyl)-N-methyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
CID 106927417
2-(2-fluoroethylsulfanyl)-4-methoxyaniline
CID 80693918
1-(2,4-dimethoxyphenyl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
CID 106927222
2-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-amine
CID 106928161
5-(1,3-oxazol-2-ylsulfanyl)pyrazin-2-amine
CID 106928163
1-amino-4-methoxy-2-sulfosulfanylbenzene
CID 130155226

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(1,3-oxazol-2-ylsulfanyl)aniline?
The IUPAC name of 4-methoxy-2-(1,3-oxazol-2-ylsulfanyl)aniline (CID 106921313) is 4-methoxy-2-(1,3-oxazol-2-ylsulfanyl)aniline.
What is the SMILES notation for 4-methoxy-2-(1,3-oxazol-2-ylsulfanyl)aniline?
The canonical SMILES for 4-methoxy-2-(1,3-oxazol-2-ylsulfanyl)aniline is COc1ccc(N)c(Sc2ncco2)c1.
What is the InChIKey of 4-methoxy-2-(1,3-oxazol-2-ylsulfanyl)aniline?
The InChIKey is UADFWSZOQROAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-13-7-2-3-8(11)9(6-7)15-10-12-4-5-14-10/h2-6H,11H2,1H3.
What are the key properties of 4-methoxy-2-(1,3-oxazol-2-ylsulfanyl)aniline?
4-methoxy-2-(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 4-methoxy-2-(1,3-oxazol-2-ylsulfanyl)aniline is sourced from PubChem (CID 106921313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).