N-(3-amino-4-fluorophenyl)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide

C13H14FN3O2S — CID 106922028

IUPACN-(3-amino-4-fluorophenyl)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide
SMILESCc1coc(SCCC(=O)Nc2ccc(F)c(N)c2)n1
InChIInChI=1S/C13H14FN3O2S/c1-8-7-19-13(16-8)20-5-4-12(18)17-9-2-3-10(14)11(15)6-9/h2-3,6-7H,4-5,15H2,1H3,(H,17,18)
InChIKeyBSCUYFZQXMVVAT-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.83
Rot. Bonds5

About N-(3-amino-4-fluorophenyl)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide

N-(3-amino-4-fluorophenyl)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide (PubChem CID 106922028) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide
PubChem CID106922028
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC NameN-(3-amino-4-fluorophenyl)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide
SMILESCc1coc(SCCC(=O)Nc2ccc(F)c(N)c2)n1
InChIInChI=1S/C13H14FN3O2S/c1-8-7-19-13(16-8)20-5-4-12(18)17-9-2-3-10(14)11(15)6-9/h2-3,6-7H,4-5,15H2,1H3,(H,17,18)
InChIKeyBSCUYFZQXMVVAT-UHFFFAOYSA-N
XLogP2.83
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.83
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-[4-(acetylamino)phenyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 9423857
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
CID 9422887
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9422950
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
CID 9423321
N-(2,4-difluorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 9423759
N-(3-chloro-4-fluorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 9456672
N-(4-bromo-2-fluorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 39921814
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
CID 39922339
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-fluorophenyl)propanamide
CID 47477166
5-Fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921465
3-Fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921482
3-Fluoro-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921530

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide (CID 106922028) is N-(3-amino-4-fluorophenyl)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide is Cc1coc(SCCC(=O)Nc2ccc(F)c(N)c2)n1.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
The InChIKey is BSCUYFZQXMVVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c1-8-7-19-13(16-8)20-5-4-12(18)17-9-2-3-10(14)11(15)6-9/h2-3,6-7H,4-5,15H2,1H3,(H,17,18).
What are the key properties of N-(3-amino-4-fluorophenyl)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
N-(3-amino-4-fluorophenyl)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide has a molecular weight of 295.34 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 106922028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).