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

C13H15N3O2S — CID 106921850

IUPACN-(5-amino-2-methylphenyl)-3-(1,3-oxazol-2-ylsulfanyl)propanamide
SMILESCc1ccc(N)cc1NC(=O)CCSc1ncco1
InChIInChI=1S/C13H15N3O2S/c1-9-2-3-10(14)8-11(9)16-12(17)4-7-19-13-15-5-6-18-13/h2-3,5-6,8H,4,7,14H2,1H3,(H,16,17)
InChIKeyPETLLHVMHYKUQQ-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.69
Rot. Bonds5

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

N-(5-amino-2-methylphenyl)-3-(1,3-oxazol-2-ylsulfanyl)propanamide (PubChem CID 106921850) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-3-(1,3-oxazol-2-ylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-3-(1,3-oxazol-2-ylsulfanyl)propanamide
PubChem CID106921850
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-(5-amino-2-methylphenyl)-3-(1,3-oxazol-2-ylsulfanyl)propanamide
SMILESCc1ccc(N)cc1NC(=O)CCSc1ncco1
InChIInChI=1S/C13H15N3O2S/c1-9-2-3-10(14)8-11(9)16-12(17)4-7-19-13-15-5-6-18-13/h2-3,5-6,8H,4,7,14H2,1H3,(H,16,17)
InChIKeyPETLLHVMHYKUQQ-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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
4-Fluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)aniline
CID 106921786
N-(5-amino-2-fluorophenyl)-4-(1,3-oxazol-2-ylsulfanyl)butanamide
CID 106921822
N-(3-amino-4-fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propanamide
CID 106921824
N-[4-amino-3-(trifluoromethyl)phenyl]-2-(1,3-oxazol-2-ylsulfanyl)acetamide
CID 106921825
N-(2-amino-4-fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propanamide
CID 106921844
3-Fluoro-4-(1,3-oxazol-2-ylsulfanylmethyl)aniline
CID 106921857
N-(3-amino-4-fluorophenyl)-4-(1,3-oxazol-2-ylsulfanyl)butanamide
CID 106921862
N-(5-amino-2-fluorophenyl)-3-(1,3-oxazol-2-ylsulfanyl)propanamide
CID 106921878
N-[2-amino-4-(trifluoromethyl)phenyl]-2-(1,3-oxazol-2-ylsulfanyl)acetamide
CID 106921881

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-3-(1,3-oxazol-2-ylsulfanyl)propanamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-3-(1,3-oxazol-2-ylsulfanyl)propanamide (CID 106921850) is N-(5-amino-2-methylphenyl)-3-(1,3-oxazol-2-ylsulfanyl)propanamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-3-(1,3-oxazol-2-ylsulfanyl)propanamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-3-(1,3-oxazol-2-ylsulfanyl)propanamide is Cc1ccc(N)cc1NC(=O)CCSc1ncco1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-3-(1,3-oxazol-2-ylsulfanyl)propanamide?
The InChIKey is PETLLHVMHYKUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-9-2-3-10(14)8-11(9)16-12(17)4-7-19-13-15-5-6-18-13/h2-3,5-6,8H,4,7,14H2,1H3,(H,16,17).
What are the key properties of N-(5-amino-2-methylphenyl)-3-(1,3-oxazol-2-ylsulfanyl)propanamide?
N-(5-amino-2-methylphenyl)-3-(1,3-oxazol-2-ylsulfanyl)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-(5-amino-2-methylphenyl)-3-(1,3-oxazol-2-ylsulfanyl)propanamide is sourced from PubChem (CID 106921850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).