N-[2-[4-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]-2-methylpropanamide

C16H21N3O3S — CID 170022266

IUPACN-[2-[4-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]-2-methylpropanamide
SMILESCCSc1nnc(-c2ccc(OCCNC(=O)C(C)C)cc2)o1
InChIInChI=1S/C16H21N3O3S/c1-4-23-16-19-18-15(22-16)12-5-7-13(8-6-12)21-10-9-17-14(20)11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,17,20)
InChIKeyLSFQGQKWVOWFGY-UHFFFAOYSA-N
MW335.43 g/mol
LogP3.00
Rot. Bonds8

About N-[2-[4-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]-2-methylpropanamide

N-[2-[4-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]-2-methylpropanamide (PubChem CID 170022266) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[2-[4-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[4-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]-2-methylpropanamide
PubChem CID170022266
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC NameN-[2-[4-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]-2-methylpropanamide
SMILESCCSc1nnc(-c2ccc(OCCNC(=O)C(C)C)cc2)o1
InChIInChI=1S/C16H21N3O3S/c1-4-23-16-19-18-15(22-16)12-5-7-13(8-6-12)21-10-9-17-14(20)11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,17,20)
InChIKeyLSFQGQKWVOWFGY-UHFFFAOYSA-N
XLogP3.00
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.00
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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Related Compounds

N-[2-(4-tert-butylphenoxy)ethyl]-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 8581995
N-[2-(4-tert-butylphenoxy)ethyl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 55373048
N-[2-(4-fluorophenoxy)ethyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 78862540
(2S)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)propanamide
CID 8995906
3-methyl-1-[2-[2-[4-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)phenoxy]ethoxy]ethoxy]pentan-2-one
CID 177203810
2-ethylsulfanyl-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 35766151
2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(ethylcarbamoyl)acetamide
CID 7533565
2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methylbutyl)acetamide
CID 2701885
4-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanoic acid
CID 139568659
2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide
CID 7661062
(2S)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide
CID 7661117
2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-propan-2-yloxypropyl)acetamide
CID 8582035

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[4-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]-2-methylpropanamide (CID 170022266) is N-[2-[4-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[4-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[4-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]-2-methylpropanamide is CCSc1nnc(-c2ccc(OCCNC(=O)C(C)C)cc2)o1.
What is the InChIKey of N-[2-[4-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]-2-methylpropanamide?
The InChIKey is LSFQGQKWVOWFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-4-23-16-19-18-15(22-16)12-5-7-13(8-6-12)21-10-9-17-14(20)11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,17,20).
What are the key properties of N-[2-[4-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]-2-methylpropanamide?
N-[2-[4-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]-2-methylpropanamide has a molecular weight of 335.43 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]-2-methylpropanamide is sourced from PubChem (CID 170022266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).