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

C16H21N3O2S — CID 29132941

IUPAC3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-3-ylmethyl)propanamide
SMILESO=C(CCc1nnc(C2CCCCC2)o1)NCc1ccsc1
InChIInChI=1S/C16H21N3O2S/c20-14(17-10-12-8-9-22-11-12)6-7-15-18-19-16(21-15)13-4-2-1-3-5-13/h8-9,11,13H,1-7,10H2,(H,17,20)
InChIKeyFTQTVGSIMWGPQG-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.43
Rot. Bonds6

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

3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-3-ylmethyl)propanamide (PubChem CID 29132941) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-3-ylmethyl)propanamide
PubChem CID29132941
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-3-ylmethyl)propanamide
SMILESO=C(CCc1nnc(C2CCCCC2)o1)NCc1ccsc1
InChIInChI=1S/C16H21N3O2S/c20-14(17-10-12-8-9-22-11-12)6-7-15-18-19-16(21-15)13-4-2-1-3-5-13/h8-9,11,13H,1-7,10H2,(H,17,20)
InChIKeyFTQTVGSIMWGPQG-UHFFFAOYSA-N
XLogP3.43
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-3-ylmethyl)propanamide?
The IUPAC name of 3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-3-ylmethyl)propanamide (CID 29132941) is 3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-3-ylmethyl)propanamide?
The canonical SMILES for 3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-3-ylmethyl)propanamide is O=C(CCc1nnc(C2CCCCC2)o1)NCc1ccsc1.
What is the InChIKey of 3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-3-ylmethyl)propanamide?
The InChIKey is FTQTVGSIMWGPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c20-14(17-10-12-8-9-22-11-12)6-7-15-18-19-16(21-15)13-4-2-1-3-5-13/h8-9,11,13H,1-7,10H2,(H,17,20).
What are the key properties of 3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-3-ylmethyl)propanamide?
3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-3-ylmethyl)propanamide has a molecular weight of 319.43 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-3-ylmethyl)propanamide is sourced from PubChem (CID 29132941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).