1-[2-amino-5-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone

C11H10N2O2S — CID 106921317

IUPAC1-[2-amino-5-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone
SMILESCC(=O)c1cc(Sc2ncco2)ccc1N
InChIInChI=1S/C11H10N2O2S/c1-7(14)9-6-8(2-3-10(9)12)16-11-13-4-5-15-11/h2-6H,12H2,1H3
InChIKeyMGIRGZQEGWVSOK-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.61
Rot. Bonds3

About 1-[2-amino-5-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone

1-[2-amino-5-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone (PubChem CID 106921317) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 1-[2-amino-5-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-5-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone
PubChem CID106921317
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name1-[2-amino-5-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone
SMILESCC(=O)c1cc(Sc2ncco2)ccc1N
InChIInChI=1S/C11H10N2O2S/c1-7(14)9-6-8(2-3-10(9)12)16-11-13-4-5-15-11/h2-6H,12H2,1H3
InChIKeyMGIRGZQEGWVSOK-UHFFFAOYSA-N
XLogP2.61
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.61
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

Ethyl 2-amino-4-fluoro-5-(1,3-oxazol-2-ylsulfanyl)benzoate
CID 106924110
2-Amino-4-fluoro-5-(1,3-oxazol-2-ylsulfanyl)benzoic acid
CID 106924115
2-Amino-4-fluoro-5-(1,3-oxazol-2-ylsulfanyl)benzamide
CID 106924119
2-Amino-4-fluoro-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide
CID 106924148
4-(1,3-Oxazol-2-ylsulfanyl)-2-(trifluoromethyl)aniline
CID 113893320
Methyl 2-amino-4-fluoro-5-(1,3-oxazol-2-ylsulfanyl)benzoate
CID 113893719
2-(1,3-Oxazol-2-ylsulfanyl)benzamide
CID 18399902
3-Methyl-4-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921298
Methyl 2-amino-3-methyl-5-(1,3-oxazol-2-ylsulfanyl)benzoate
CID 106921336
2-Amino-5-(1,3-oxazol-2-ylsulfanyl)benzonitrile
CID 106921337
2-[2-Amino-5-(1,3-oxazol-2-ylsulfanyl)phenyl]acetonitrile
CID 106921342
3-Amino-4-(1,3-oxazol-2-ylsulfanyl)benzamide
CID 106921347

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone?
The IUPAC name of 1-[2-amino-5-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone (CID 106921317) is 1-[2-amino-5-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-5-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone?
The canonical SMILES for 1-[2-amino-5-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone is CC(=O)c1cc(Sc2ncco2)ccc1N.
What is the InChIKey of 1-[2-amino-5-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone?
The InChIKey is MGIRGZQEGWVSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-7(14)9-6-8(2-3-10(9)12)16-11-13-4-5-15-11/h2-6H,12H2,1H3.
What are the key properties of 1-[2-amino-5-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone?
1-[2-amino-5-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone has a molecular weight of 234.28 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone is sourced from PubChem (CID 106921317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).