N-cyclooctyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

C17H23N3O2S — CID 18106193

IUPACN-cyclooctyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccsc2)no1)NC1CCCCCCC1
InChIInChI=1S/C17H23N3O2S/c21-15(18-14-6-4-2-1-3-5-7-14)8-9-16-19-17(20-22-16)13-10-11-23-12-13/h10-12,14H,1-9H2,(H,18,21)
InChIKeyQMTTWFFXPUBOHO-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.96
Rot. Bonds5

About N-cyclooctyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

N-cyclooctyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 18106193) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-cyclooctyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-cyclooctyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID18106193
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-cyclooctyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccsc2)no1)NC1CCCCCCC1
InChIInChI=1S/C17H23N3O2S/c21-15(18-14-6-4-2-1-3-5-7-14)8-9-16-19-17(20-22-16)13-10-11-23-12-13/h10-12,14H,1-9H2,(H,18,21)
InChIKeyQMTTWFFXPUBOHO-UHFFFAOYSA-N
XLogP3.96
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
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N-cyclopropyl-2-oxo-2-[2-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]hydrazinyl]acetamide
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[1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate
CID 47011704
[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate
CID 51614529
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N-cycloheptyl-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46586192
N-[(4-cyclopropylphenyl)methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119048312
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclooctylbutanamide
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N-cycloheptyl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-cyclooctyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 18106193) is N-cyclooctyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-cyclooctyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-cyclooctyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is O=C(CCc1nc(-c2ccsc2)no1)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is QMTTWFFXPUBOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c21-15(18-14-6-4-2-1-3-5-7-14)8-9-16-19-17(20-22-16)13-10-11-23-12-13/h10-12,14H,1-9H2,(H,18,21).
What are the key properties of N-cyclooctyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-cyclooctyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 333.46 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 18106193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).