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

C14H17N3O3S — CID 3308001

IUPAC3-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methoxyphenyl)propanamide
SMILESCCc1nnc(SCCC(=O)Nc2cccc(OC)c2)o1
InChIInChI=1S/C14H17N3O3S/c1-3-13-16-17-14(20-13)21-8-7-12(18)15-10-5-4-6-11(9-10)19-2/h4-6,9H,3,7-8H2,1-2H3,(H,15,18)
InChIKeyXQQHIWDWIYQVKQ-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.76
Rot. Bonds7

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

3-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methoxyphenyl)propanamide (PubChem CID 3308001) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methoxyphenyl)propanamide
PubChem CID3308001
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name3-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methoxyphenyl)propanamide
SMILESCCc1nnc(SCCC(=O)Nc2cccc(OC)c2)o1
InChIInChI=1S/C14H17N3O3S/c1-3-13-16-17-14(20-13)21-8-7-12(18)15-10-5-4-6-11(9-10)19-2/h4-6,9H,3,7-8H2,1-2H3,(H,15,18)
InChIKeyXQQHIWDWIYQVKQ-UHFFFAOYSA-N
XLogP2.76
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

S-[2-(3-methoxyanilino)-2-oxoethyl] thiocarbamate
CID 671768
N-(2-Methoxy-phenyl)-2-(5-methyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 646270
N-(4-ethoxyphenyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 752193
N-Benzo[1,3]dioxol-5-yl-2-(5-ethyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 1080104
N-(3-methoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 763323
N-(4-methoxyphenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 6463398
N-(3-methoxyphenyl)-2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide
CID 7197234
N-(3,5-Dimethoxy-phenyl)-2-(5-methyl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetamide
CID 645696
N-Benzo[1,3]dioxol-5-yl-2-(5-methyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 650438
2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
CID 1374218
N-(4-Methoxyphenyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 604494
N-(3-butoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2274529

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methoxyphenyl)propanamide?
The IUPAC name of 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methoxyphenyl)propanamide (CID 3308001) is 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methoxyphenyl)propanamide?
The canonical SMILES for 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methoxyphenyl)propanamide is CCc1nnc(SCCC(=O)Nc2cccc(OC)c2)o1.
What is the InChIKey of 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methoxyphenyl)propanamide?
The InChIKey is XQQHIWDWIYQVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-3-13-16-17-14(20-13)21-8-7-12(18)15-10-5-4-6-11(9-10)19-2/h4-6,9H,3,7-8H2,1-2H3,(H,15,18).
What are the key properties of 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methoxyphenyl)propanamide?
3-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methoxyphenyl)propanamide has a molecular weight of 307.38 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 3308001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).