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

C13H15N3O2S — CID 106922124

IUPACN-(4-aminophenyl)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide
SMILESCc1coc(SCCC(=O)Nc2ccc(N)cc2)n1
InChIInChI=1S/C13H15N3O2S/c1-9-8-18-13(15-9)19-7-6-12(17)16-11-4-2-10(14)3-5-11/h2-5,8H,6-7,14H2,1H3,(H,16,17)
InChIKeyBDXSONTUZYQABW-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.69
Rot. Bonds5

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

N-(4-aminophenyl)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide (PubChem CID 106922124) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-(4-aminophenyl)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide
PubChem CID106922124
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-(4-aminophenyl)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide
SMILESCc1coc(SCCC(=O)Nc2ccc(N)cc2)n1
InChIInChI=1S/C13H15N3O2S/c1-9-8-18-13(15-9)19-7-6-12(17)16-11-4-2-10(14)3-5-11/h2-5,8H,6-7,14H2,1H3,(H,16,17)
InChIKeyBDXSONTUZYQABW-UHFFFAOYSA-N
XLogP2.69
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4-fluorophenyl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide
CID 106922142
ethyl 3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoate
CID 106920837
N-(4-aminophenyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 28555537
N-(2-cyanophenyl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide
CID 106922534
N-(4-aminophenyl)-3-(2-chlorophenyl)sulfanylpropanamide
CID 28534611
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
CID 25036662
2-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]phenyl]acetohydrazide
CID 106926255
N-(4-amino-2-chlorophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 106922198
3-amino-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]propanamide;hydrochloride
CID 119343667
2-[[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 56734777
N-(4-aminophenyl)-4-pentylsulfanylbutanamide
CID 107748509
N-(4-aminophenyl)-4-(oxetan-3-ylsulfanyl)butanamide
CID 79326272

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
The IUPAC name of N-(4-aminophenyl)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide (CID 106922124) is N-(4-aminophenyl)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-(4-aminophenyl)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-(4-aminophenyl)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide is Cc1coc(SCCC(=O)Nc2ccc(N)cc2)n1.
What is the InChIKey of N-(4-aminophenyl)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
The InChIKey is BDXSONTUZYQABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-9-8-18-13(15-9)19-7-6-12(17)16-11-4-2-10(14)3-5-11/h2-5,8H,6-7,14H2,1H3,(H,16,17).
What are the key properties of N-(4-aminophenyl)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
N-(4-aminophenyl)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide has a molecular weight of 277.35 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 106922124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).