N-[3-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]propyl]acetamide

C15H17ClN2O2S — CID 71926173

IUPACN-[3-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]propyl]acetamide
SMILESCC(=O)NCCCSCc1ncc(-c2ccccc2Cl)o1
InChIInChI=1S/C15H17ClN2O2S/c1-11(19)17-7-4-8-21-10-15-18-9-14(20-15)12-5-2-3-6-13(12)16/h2-3,5-6,9H,4,7-8,10H2,1H3,(H,17,19)
InChIKeyOZFNINQGGKMSMX-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.75
Rot. Bonds7

About N-[3-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]propyl]acetamide

N-[3-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]propyl]acetamide (PubChem CID 71926173) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is N-[3-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]propyl]acetamide
PubChem CID71926173
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC NameN-[3-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]propyl]acetamide
SMILESCC(=O)NCCCSCc1ncc(-c2ccccc2Cl)o1
InChIInChI=1S/C15H17ClN2O2S/c1-11(19)17-7-4-8-21-10-15-18-9-14(20-15)12-5-2-3-6-13(12)16/h2-3,5-6,9H,4,7-8,10H2,1H3,(H,17,19)
InChIKeyOZFNINQGGKMSMX-UHFFFAOYSA-N
XLogP3.75
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]propyl]acetamide?
The IUPAC name of N-[3-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]propyl]acetamide (CID 71926173) is N-[3-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]propyl]acetamide.
What is the SMILES notation for N-[3-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]propyl]acetamide?
The canonical SMILES for N-[3-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]propyl]acetamide is CC(=O)NCCCSCc1ncc(-c2ccccc2Cl)o1.
What is the InChIKey of N-[3-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]propyl]acetamide?
The InChIKey is OZFNINQGGKMSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-11(19)17-7-4-8-21-10-15-18-9-14(20-15)12-5-2-3-6-13(12)16/h2-3,5-6,9H,4,7-8,10H2,1H3,(H,17,19).
What are the key properties of N-[3-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]propyl]acetamide?
N-[3-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]propyl]acetamide has a molecular weight of 324.83 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]propyl]acetamide is sourced from PubChem (CID 71926173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).