N-(2-amino-5-chlorophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide

C14H16ClN3O2S — CID 106922299

IUPACN-(2-amino-5-chlorophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
SMILESCc1nc(SCCC(=O)Nc2cc(Cl)ccc2N)oc1C
InChIInChI=1S/C14H16ClN3O2S/c1-8-9(2)20-14(17-8)21-6-5-13(19)18-12-7-10(15)3-4-11(12)16/h3-4,7H,5-6,16H2,1-2H3,(H,18,19)
InChIKeyHVJZVFJKPXAITP-UHFFFAOYSA-N
MW325.82 g/mol
LogP3.65
Rot. Bonds5

About N-(2-amino-5-chlorophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide

N-(2-amino-5-chlorophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide (PubChem CID 106922299) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
PubChem CID106922299
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC NameN-(2-amino-5-chlorophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
SMILESCc1nc(SCCC(=O)Nc2cc(Cl)ccc2N)oc1C
InChIInChI=1S/C14H16ClN3O2S/c1-8-9(2)20-14(17-8)21-6-5-13(19)18-12-7-10(15)3-4-11(12)16/h3-4,7H,5-6,16H2,1-2H3,(H,18,19)
InChIKeyHVJZVFJKPXAITP-UHFFFAOYSA-N
XLogP3.65
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(2-amino-5-chlorophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-4-chlorophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 106922323
N-(4-amino-2-chlorophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 106922198
N-(5-amino-2-fluorophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 106922276
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanehydrazide
CID 106926292
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 103761124
N-(2-amino-5-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylacetamide
CID 107779905
N-(2-amino-4-chlorophenyl)-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 61346869
N-(2-amino-5-chlorophenyl)-3-propoxypropanamide
CID 43247865
N-(2-amino-5-chlorophenyl)-3-(3-methylphenyl)propanamide
CID 62366718
N-(2-amino-5-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide
CID 62408208
N-(2-amino-4-chlorophenyl)-3-methylsulfanylpropanamide
CID 61023723
N-(4-amino-2-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 62254699

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide (CID 106922299) is N-(2-amino-5-chlorophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide is Cc1nc(SCCC(=O)Nc2cc(Cl)ccc2N)oc1C.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
The InChIKey is HVJZVFJKPXAITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c1-8-9(2)20-14(17-8)21-6-5-13(19)18-12-7-10(15)3-4-11(12)16/h3-4,7H,5-6,16H2,1-2H3,(H,18,19).
What are the key properties of N-(2-amino-5-chlorophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
N-(2-amino-5-chlorophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide has a molecular weight of 325.82 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 106922299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).