3-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-(2-methylsulfanylethyl)propanamide

C17H23N3O3S — CID 42344834

IUPAC3-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-(2-methylsulfanylethyl)propanamide
SMILESCOc1cccc(CCc2nnc(CCC(=O)NCCSC)o2)c1
InChIInChI=1S/C17H23N3O3S/c1-22-14-5-3-4-13(12-14)6-8-16-19-20-17(23-16)9-7-15(21)18-10-11-24-2/h3-5,12H,6-11H2,1-2H3,(H,18,21)
InChIKeyRBRZQFVZGSOOND-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.28
Rot. Bonds10

About 3-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-(2-methylsulfanylethyl)propanamide

3-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-(2-methylsulfanylethyl)propanamide (PubChem CID 42344834) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 3-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-(2-methylsulfanylethyl)propanamide.

Molecular Properties

Compound Name3-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-(2-methylsulfanylethyl)propanamide
PubChem CID42344834
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name3-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-(2-methylsulfanylethyl)propanamide
SMILESCOc1cccc(CCc2nnc(CCC(=O)NCCSC)o2)c1
InChIInChI=1S/C17H23N3O3S/c1-22-14-5-3-4-13(12-14)6-8-16-19-20-17(23-16)9-7-15(21)18-10-11-24-2/h3-5,12H,6-11H2,1-2H3,(H,18,21)
InChIKeyRBRZQFVZGSOOND-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
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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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 25386620
3-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[2-[(2S)-oxan-2-yl]ethyl]propanamide
CID 42392793
N-[2-(3-methoxyphenyl)ethyl]-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334316
3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 24791038
3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 110334494
3-(3-methoxyphenyl)-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide
CID 110408609
3-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[(2S)-1-thiophen-2-ylpropan-2-yl]propanamide
CID 25373985
N-benzyl-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334876
3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylbutyl)propanamide
CID 110334918
3-(3-methoxyphenyl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]propanamide
CID 110368336
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 110711831
N-[2-(3-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 110295233

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-(2-methylsulfanylethyl)propanamide?
The IUPAC name of 3-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-(2-methylsulfanylethyl)propanamide (CID 42344834) is 3-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-(2-methylsulfanylethyl)propanamide.
What is the SMILES notation for 3-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-(2-methylsulfanylethyl)propanamide?
The canonical SMILES for 3-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-(2-methylsulfanylethyl)propanamide is COc1cccc(CCc2nnc(CCC(=O)NCCSC)o2)c1.
What is the InChIKey of 3-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-(2-methylsulfanylethyl)propanamide?
The InChIKey is RBRZQFVZGSOOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-22-14-5-3-4-13(12-14)6-8-16-19-20-17(23-16)9-7-15(21)18-10-11-24-2/h3-5,12H,6-11H2,1-2H3,(H,18,21).
What are the key properties of 3-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-(2-methylsulfanylethyl)propanamide?
3-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-(2-methylsulfanylethyl)propanamide has a molecular weight of 349.46 g/mol, XLogP of 2.28, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-(2-methylsulfanylethyl)propanamide is sourced from PubChem (CID 42344834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).