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

C10H9N3O2S — CID 106921347

IUPAC3-amino-4-(1,3-oxazol-2-ylsulfanyl)benzamide
SMILESNC(=O)c1ccc(Sc2ncco2)c(N)c1
InChIInChI=1S/C10H9N3O2S/c11-7-5-6(9(12)14)1-2-8(7)16-10-13-3-4-15-10/h1-5H,11H2,(H2,12,14)
InChIKeyOXMWRAMQEHNVJS-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.51
Rot. Bonds3

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

3-amino-4-(1,3-oxazol-2-ylsulfanyl)benzamide (PubChem CID 106921347) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is 3-amino-4-(1,3-oxazol-2-ylsulfanyl)benzamide.

Molecular Properties

Compound Name3-amino-4-(1,3-oxazol-2-ylsulfanyl)benzamide
PubChem CID106921347
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Name3-amino-4-(1,3-oxazol-2-ylsulfanyl)benzamide
SMILESNC(=O)c1ccc(Sc2ncco2)c(N)c1
InChIInChI=1S/C10H9N3O2S/c11-7-5-6(9(12)14)1-2-8(7)16-10-13-3-4-15-10/h1-5H,11H2,(H2,12,14)
InChIKeyOXMWRAMQEHNVJS-UHFFFAOYSA-N
XLogP1.51
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.51
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

2-(1,3-Oxazol-2-ylsulfanyl)-5-(trifluoromethyl)aniline
CID 106921301
5-Fluoro-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921411
5-Amino-2-fluoro-4-(1,3-oxazol-2-ylsulfanyl)benzoic acid
CID 106921450
2-Amino-4-fluoro-5-(1,3-oxazol-2-ylsulfanyl)benzamide
CID 106924119
2-(1,3-Oxazol-2-ylsulfanyl)benzamide
CID 18399902
2-(1,3-Oxazol-5-ylsulfanyl)benzamide
CID 69847064
N-(1,3-oxazol-5-ylmethyl)-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide
CID 124192052
2-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
CID 140503385
1-[3-Nitro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone
CID 106898487
5-Methyl-2-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921296
3-Methyl-4-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921298
2-Methyl-5-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921306

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(1,3-oxazol-2-ylsulfanyl)benzamide?
The IUPAC name of 3-amino-4-(1,3-oxazol-2-ylsulfanyl)benzamide (CID 106921347) is 3-amino-4-(1,3-oxazol-2-ylsulfanyl)benzamide.
What is the SMILES notation for 3-amino-4-(1,3-oxazol-2-ylsulfanyl)benzamide?
The canonical SMILES for 3-amino-4-(1,3-oxazol-2-ylsulfanyl)benzamide is NC(=O)c1ccc(Sc2ncco2)c(N)c1.
What is the InChIKey of 3-amino-4-(1,3-oxazol-2-ylsulfanyl)benzamide?
The InChIKey is OXMWRAMQEHNVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c11-7-5-6(9(12)14)1-2-8(7)16-10-13-3-4-15-10/h1-5H,11H2,(H2,12,14).
What are the key properties of 3-amino-4-(1,3-oxazol-2-ylsulfanyl)benzamide?
3-amino-4-(1,3-oxazol-2-ylsulfanyl)benzamide has a molecular weight of 235.27 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(1,3-oxazol-2-ylsulfanyl)benzamide is sourced from PubChem (CID 106921347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).