N-(5-amino-2-fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propanamide

C12H12FN3O2S — CID 106921878

IUPACN-(5-amino-2-fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propanamide
SMILESNc1ccc(F)c(NC(=O)CCSc2ncco2)c1
InChIInChI=1S/C12H12FN3O2S/c13-9-2-1-8(14)7-10(9)16-11(17)3-6-19-12-15-4-5-18-12/h1-2,4-5,7H,3,6,14H2,(H,16,17)
InChIKeyHHZKNMZOVQOKPV-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.52
Rot. Bonds5

About N-(5-amino-2-fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propanamide

N-(5-amino-2-fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propanamide (PubChem CID 106921878) has the molecular formula C12H12FN3O2S and a molecular weight of 281.31 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propanamide
PubChem CID106921878
Molecular FormulaC12H12FN3O2S
Molecular Weight281.31 g/mol
Exact Mass281.06
IUPAC NameN-(5-amino-2-fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propanamide
SMILESNc1ccc(F)c(NC(=O)CCSc2ncco2)c1
InChIInChI=1S/C12H12FN3O2S/c13-9-2-1-8(14)7-10(9)16-11(17)3-6-19-12-15-4-5-18-12/h1-2,4-5,7H,3,6,14H2,(H,16,17)
InChIKeyHHZKNMZOVQOKPV-UHFFFAOYSA-N
XLogP2.52
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.52
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

N-[2-fluoro-5-(1,3-oxazol-5-ylmethylamino)phenyl]acetamide
CID 65963985
N-[4-fluoro-3-(1,3-oxazol-5-ylmethylamino)phenyl]acetamide
CID 65964391
N-[2-fluoro-5-(1,3-oxazol-5-ylmethylamino)phenyl]methanesulfonamide
CID 65966344
2-[(5-tert-butyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
CID 75426994
5-Fluoro-2-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921307
3-Fluoro-4-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921322
3-Fluoro-5-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921372
4-Fluoro-2-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921375
3,5-Difluoro-4-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921442
3-Fluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)aniline
CID 106921775
2-Fluoro-4-(1,3-oxazol-2-ylsulfanylmethyl)aniline
CID 106921776
3-Fluoro-5-(1,3-oxazol-2-ylsulfanylmethyl)aniline
CID 106921777

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propanamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propanamide (CID 106921878) is N-(5-amino-2-fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propanamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propanamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propanamide is Nc1ccc(F)c(NC(=O)CCSc2ncco2)c1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propanamide?
The InChIKey is HHZKNMZOVQOKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2S/c13-9-2-1-8(14)7-10(9)16-11(17)3-6-19-12-15-4-5-18-12/h1-2,4-5,7H,3,6,14H2,(H,16,17).
What are the key properties of N-(5-amino-2-fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propanamide?
N-(5-amino-2-fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propanamide has a molecular weight of 281.31 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propanamide is sourced from PubChem (CID 106921878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).