3-(2-amino-6-chlorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C13H14ClN3O2S — CID 43304529

IUPAC3-(2-amino-6-chlorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCSc2c(N)cccc2Cl)no1
InChIInChI=1S/C13H14ClN3O2S/c1-8-7-11(17-19-8)16-12(18)5-6-20-13-9(14)3-2-4-10(13)15/h2-4,7H,5-6,15H2,1H3,(H,16,17,18)
InChIKeyLSROCEFOJJEQHP-UHFFFAOYSA-N
MW311.79 g/mol
LogP3.34
Rot. Bonds5

About 3-(2-amino-6-chlorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

3-(2-amino-6-chlorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 43304529) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is 3-(2-amino-6-chlorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(2-amino-6-chlorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID43304529
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name3-(2-amino-6-chlorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCSc2c(N)cccc2Cl)no1
InChIInChI=1S/C13H14ClN3O2S/c1-8-7-11(17-19-8)16-12(18)5-6-20-13-9(14)3-2-4-10(13)15/h2-4,7H,5-6,15H2,1H3,(H,16,17,18)
InChIKeyLSROCEFOJJEQHP-UHFFFAOYSA-N
XLogP3.34
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 53.34
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-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]aniline
CID 43304882
4-(2-amino-6-chlorophenyl)sulfanyl-N-methylbutanamide
CID 63891216
3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 43213085
2-(2,6-dichloro-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113156975
3-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51222962
3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 34946052
4-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 47246136
2-(2-amino-6-chlorophenyl)sulfanyl-N-(3-chloro-2-methylphenyl)acetamide
CID 43304715
3-[[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51500609
3-(4-aminophenyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 54905585
3-(2-aminophenyl)sulfanyl-N-(2,6-dichlorophenyl)propanamide
CID 43248841
3-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51477491

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-6-chlorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 3-(2-amino-6-chlorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 43304529) is 3-(2-amino-6-chlorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 3-(2-amino-6-chlorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 3-(2-amino-6-chlorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)CCSc2c(N)cccc2Cl)no1.
What is the InChIKey of 3-(2-amino-6-chlorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is LSROCEFOJJEQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c1-8-7-11(17-19-8)16-12(18)5-6-20-13-9(14)3-2-4-10(13)15/h2-4,7H,5-6,15H2,1H3,(H,16,17,18).
What are the key properties of 3-(2-amino-6-chlorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
3-(2-amino-6-chlorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 311.79 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-6-chlorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 43304529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).