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

C16H21N3O3S — CID 162671238

IUPACN-[4-[(5-pentylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]acetamide
SMILESCCCCCSc1nnc(COc2ccc(NC(C)=O)cc2)o1
InChIInChI=1S/C16H21N3O3S/c1-3-4-5-10-23-16-19-18-15(22-16)11-21-14-8-6-13(7-9-14)17-12(2)20/h6-9H,3-5,10-11H2,1-2H3,(H,17,20)
InChIKeyUNPRWNQFLVRMIC-UHFFFAOYSA-N
MW335.43 g/mol
LogP3.89
Rot. Bonds9

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

N-[4-[(5-pentylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]acetamide (PubChem CID 162671238) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[4-[(5-pentylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-pentylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]acetamide
PubChem CID162671238
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC NameN-[4-[(5-pentylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]acetamide
SMILESCCCCCSc1nnc(COc2ccc(NC(C)=O)cc2)o1
InChIInChI=1S/C16H21N3O3S/c1-3-4-5-10-23-16-19-18-15(22-16)11-21-14-8-6-13(7-9-14)17-12(2)20/h6-9H,3-5,10-11H2,1-2H3,(H,17,20)
InChIKeyUNPRWNQFLVRMIC-UHFFFAOYSA-N
XLogP3.89
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.89
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-pentylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]acetamide?
The IUPAC name of N-[4-[(5-pentylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]acetamide (CID 162671238) is N-[4-[(5-pentylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[(5-pentylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[(5-pentylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]acetamide is CCCCCSc1nnc(COc2ccc(NC(C)=O)cc2)o1.
What is the InChIKey of N-[4-[(5-pentylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]acetamide?
The InChIKey is UNPRWNQFLVRMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-3-4-5-10-23-16-19-18-15(22-16)11-21-14-8-6-13(7-9-14)17-12(2)20/h6-9H,3-5,10-11H2,1-2H3,(H,17,20).
What are the key properties of N-[4-[(5-pentylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]acetamide?
N-[4-[(5-pentylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]acetamide has a molecular weight of 335.43 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-pentylsulfanyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]acetamide is sourced from PubChem (CID 162671238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).