N-[4-[(5-hexylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]acetamide

C17H23N3O3S — CID 162670392

IUPACN-[4-[(5-hexylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]acetamide
SMILESCCCCCCSc1nnc(COc2ccc(NC(C)=O)cc2)o1
InChIInChI=1S/C17H23N3O3S/c1-3-4-5-6-11-24-17-20-19-16(23-17)12-22-15-9-7-14(8-10-15)18-13(2)21/h7-10H,3-6,11-12H2,1-2H3,(H,18,21)
InChIKeyCLMGCZIFNZDQEA-UHFFFAOYSA-N
MW349.46 g/mol
LogP4.28
Rot. Bonds10

About N-[4-[(5-hexylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]acetamide

N-[4-[(5-hexylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]acetamide (PubChem CID 162670392) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[4-[(5-hexylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-hexylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]acetamide
PubChem CID162670392
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC NameN-[4-[(5-hexylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]acetamide
SMILESCCCCCCSc1nnc(COc2ccc(NC(C)=O)cc2)o1
InChIInChI=1S/C17H23N3O3S/c1-3-4-5-6-11-24-17-20-19-16(23-17)12-22-15-9-7-14(8-10-15)18-13(2)21/h7-10H,3-6,11-12H2,1-2H3,(H,18,21)
InChIKeyCLMGCZIFNZDQEA-UHFFFAOYSA-N
XLogP4.28
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[4-[(5-hexylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]acetamide?
The IUPAC name of N-[4-[(5-hexylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]acetamide (CID 162670392) is N-[4-[(5-hexylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[(5-hexylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[(5-hexylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]acetamide is CCCCCCSc1nnc(COc2ccc(NC(C)=O)cc2)o1.
What is the InChIKey of N-[4-[(5-hexylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]acetamide?
The InChIKey is CLMGCZIFNZDQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-3-4-5-6-11-24-17-20-19-16(23-17)12-22-15-9-7-14(8-10-15)18-13(2)21/h7-10H,3-6,11-12H2,1-2H3,(H,18,21).
What are the key properties of N-[4-[(5-hexylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]acetamide?
N-[4-[(5-hexylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]acetamide has a molecular weight of 349.46 g/mol, XLogP of 4.28, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-hexylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]acetamide is sourced from PubChem (CID 162670392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).