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

C14H16ClN3O2S — CID 106922323

IUPACN-(2-amino-4-chlorophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
SMILESCc1nc(SCCC(=O)Nc2ccc(Cl)cc2N)oc1C
InChIInChI=1S/C14H16ClN3O2S/c1-8-9(2)20-14(17-8)21-6-5-13(19)18-12-4-3-10(15)7-11(12)16/h3-4,7H,5-6,16H2,1-2H3,(H,18,19)
InChIKeyYCMKFMPJQJDBRZ-UHFFFAOYSA-N
MW325.82 g/mol
LogP3.65
Rot. Bonds5

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

N-(2-amino-4-chlorophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide (PubChem CID 106922323) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
PubChem CID106922323
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC NameN-(2-amino-4-chlorophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
SMILESCc1nc(SCCC(=O)Nc2ccc(Cl)cc2N)oc1C
InChIInChI=1S/C14H16ClN3O2S/c1-8-9(2)20-14(17-8)21-6-5-13(19)18-12-4-3-10(15)7-11(12)16/h3-4,7H,5-6,16H2,1-2H3,(H,18,19)
InChIKeyYCMKFMPJQJDBRZ-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'}

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Related Compounds

N-(2-amino-5-chlorophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 106922299
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
N-(2-amino-4-chlorophenyl)-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 61346869
N-(2-amino-4-chlorophenyl)-3-methylsulfanylpropanamide
CID 61023723
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanehydrazide
CID 106926292
N-(2-amino-4-chlorophenyl)-3-(4-bromophenyl)sulfanylpropanamide
CID 43345364
N-(4-amino-2-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 62254699
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 103761124
N-(2-amino-4-chlorophenyl)-4-phenylsulfanylbutanamide
CID 28546369
methyl 4-(2-amino-4-chloroanilino)-4-oxobutanoate
CID 175254190
N-(2,3-dichlorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 9457916

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide (CID 106922323) is N-(2-amino-4-chlorophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide is Cc1nc(SCCC(=O)Nc2ccc(Cl)cc2N)oc1C.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
The InChIKey is YCMKFMPJQJDBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c1-8-9(2)20-14(17-8)21-6-5-13(19)18-12-4-3-10(15)7-11(12)16/h3-4,7H,5-6,16H2,1-2H3,(H,18,19).
What are the key properties of N-(2-amino-4-chlorophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
N-(2-amino-4-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-4-chlorophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 106922323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).