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

C10H9N3O2S — CID 106921393

IUPAC4-amino-3-(1,3-oxazol-2-ylsulfanyl)benzamide
SMILESNC(=O)c1ccc(N)c(Sc2ncco2)c1
InChIInChI=1S/C10H9N3O2S/c11-7-2-1-6(9(12)14)5-8(7)16-10-13-3-4-15-10/h1-5H,11H2,(H2,12,14)
InChIKeyTUTFKLDRDMMZKT-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.51
Rot. Bonds3

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

4-amino-3-(1,3-oxazol-2-ylsulfanyl)benzamide (PubChem CID 106921393) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is 4-amino-3-(1,3-oxazol-2-ylsulfanyl)benzamide.

Molecular Properties

Compound Name4-amino-3-(1,3-oxazol-2-ylsulfanyl)benzamide
PubChem CID106921393
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Name4-amino-3-(1,3-oxazol-2-ylsulfanyl)benzamide
SMILESNC(=O)c1ccc(N)c(Sc2ncco2)c1
InChIInChI=1S/C10H9N3O2S/c11-7-2-1-6(9(12)14)5-8(7)16-10-13-3-4-15-10/h1-5H,11H2,(H2,12,14)
InChIKeyTUTFKLDRDMMZKT-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

5-Fluoro-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921411
2-Amino-4-fluoro-5-(1,3-oxazol-2-ylsulfanyl)benzamide
CID 106924119
2-(1,3-Oxazol-2-ylsulfanyl)benzamide
CID 18399902
5-Methyl-2-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921296
7-amino-6-(1,3-oxazol-2-ylsulfanyl)-3,4-dihydro-1H-quinolin-2-one
CID 106921304
1-[2-Amino-5-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone
CID 106921317
3-Amino-4-(1,3-oxazol-2-ylsulfanyl)benzamide
CID 106921347
1-[2-Amino-4-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone
CID 106921362
4-Amino-3-(1,3-oxazol-2-ylsulfanyl)benzonitrile
CID 106921363
2-Amino-3-(1,3-oxazol-2-ylsulfanyl)benzonitrile
CID 106921364
4-Amino-2-(1,3-oxazol-2-ylsulfanyl)benzamide
CID 106921376
3-amino-N-ethyl-4-(1,3-oxazol-2-ylsulfanyl)benzamide
CID 106921381

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(1,3-oxazol-2-ylsulfanyl)benzamide?
The IUPAC name of 4-amino-3-(1,3-oxazol-2-ylsulfanyl)benzamide (CID 106921393) is 4-amino-3-(1,3-oxazol-2-ylsulfanyl)benzamide.
What is the SMILES notation for 4-amino-3-(1,3-oxazol-2-ylsulfanyl)benzamide?
The canonical SMILES for 4-amino-3-(1,3-oxazol-2-ylsulfanyl)benzamide is NC(=O)c1ccc(N)c(Sc2ncco2)c1.
What is the InChIKey of 4-amino-3-(1,3-oxazol-2-ylsulfanyl)benzamide?
The InChIKey is TUTFKLDRDMMZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c11-7-2-1-6(9(12)14)5-8(7)16-10-13-3-4-15-10/h1-5H,11H2,(H2,12,14).
What are the key properties of 4-amino-3-(1,3-oxazol-2-ylsulfanyl)benzamide?
4-amino-3-(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 4-amino-3-(1,3-oxazol-2-ylsulfanyl)benzamide is sourced from PubChem (CID 106921393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).