2-amino-4-fluoro-5-(1,3-oxazol-2-ylsulfanyl)benzamide

C10H8FN3O2S — CID 106924119

IUPAC2-amino-4-fluoro-5-(1,3-oxazol-2-ylsulfanyl)benzamide
SMILESNC(=O)c1cc(Sc2ncco2)c(F)cc1N
InChIInChI=1S/C10H8FN3O2S/c11-6-4-7(12)5(9(13)15)3-8(6)17-10-14-1-2-16-10/h1-4H,12H2,(H2,13,15)
InChIKeyWMDMUVXBGSVJFN-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.65
Rot. Bonds3

About 2-amino-4-fluoro-5-(1,3-oxazol-2-ylsulfanyl)benzamide

2-amino-4-fluoro-5-(1,3-oxazol-2-ylsulfanyl)benzamide (PubChem CID 106924119) has the molecular formula C10H8FN3O2S and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-amino-4-fluoro-5-(1,3-oxazol-2-ylsulfanyl)benzamide.

Molecular Properties

Compound Name2-amino-4-fluoro-5-(1,3-oxazol-2-ylsulfanyl)benzamide
PubChem CID106924119
Molecular FormulaC10H8FN3O2S
Molecular Weight253.26 g/mol
Exact Mass253.03
IUPAC Name2-amino-4-fluoro-5-(1,3-oxazol-2-ylsulfanyl)benzamide
SMILESNC(=O)c1cc(Sc2ncco2)c(F)cc1N
InChIInChI=1S/C10H8FN3O2S/c11-6-4-7(12)5(9(13)15)3-8(6)17-10-14-1-2-16-10/h1-4H,12H2,(H2,13,15)
InChIKeyWMDMUVXBGSVJFN-UHFFFAOYSA-N
XLogP1.65
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.65
H-Bond Donors ≤ 52
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-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzamide
CID 106924148
4-(1,3-Oxazol-2-ylsulfanyl)-2-(trifluoromethyl)aniline
CID 113893320
5-fluoro-6-(1,3-oxazol-2-ylsulfanyl)-1H-indole-2,3-dione
CID 113893564
Methyl 2-amino-4-fluoro-5-(1,3-oxazol-2-ylsulfanyl)benzoate
CID 113893719
2-(1,3-Oxazol-2-ylsulfanyl)benzamide
CID 18399902
1-[2-Amino-5-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone
CID 106921317
Methyl 2-amino-3-methyl-5-(1,3-oxazol-2-ylsulfanyl)benzoate
CID 106921336
2-[2-Amino-5-(1,3-oxazol-2-ylsulfanyl)phenyl]acetonitrile
CID 106921342
3-Amino-4-(1,3-oxazol-2-ylsulfanyl)benzamide
CID 106921347
1-[2-Amino-4-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone
CID 106921362

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-5-(1,3-oxazol-2-ylsulfanyl)benzamide?
The IUPAC name of 2-amino-4-fluoro-5-(1,3-oxazol-2-ylsulfanyl)benzamide (CID 106924119) is 2-amino-4-fluoro-5-(1,3-oxazol-2-ylsulfanyl)benzamide.
What is the SMILES notation for 2-amino-4-fluoro-5-(1,3-oxazol-2-ylsulfanyl)benzamide?
The canonical SMILES for 2-amino-4-fluoro-5-(1,3-oxazol-2-ylsulfanyl)benzamide is NC(=O)c1cc(Sc2ncco2)c(F)cc1N.
What is the InChIKey of 2-amino-4-fluoro-5-(1,3-oxazol-2-ylsulfanyl)benzamide?
The InChIKey is WMDMUVXBGSVJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O2S/c11-6-4-7(12)5(9(13)15)3-8(6)17-10-14-1-2-16-10/h1-4H,12H2,(H2,13,15).
What are the key properties of 2-amino-4-fluoro-5-(1,3-oxazol-2-ylsulfanyl)benzamide?
2-amino-4-fluoro-5-(1,3-oxazol-2-ylsulfanyl)benzamide has a molecular weight of 253.26 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-5-(1,3-oxazol-2-ylsulfanyl)benzamide is sourced from PubChem (CID 106924119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).