2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide

C11H17N3O2S — CID 3458981

IUPAC2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
SMILESCC(Sc1nnc(C2CCCCC2)o1)C(N)=O
InChIInChI=1S/C11H17N3O2S/c1-7(9(12)15)17-11-14-13-10(16-11)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H2,12,15)
InChIKeyFFAZBEMOBXPEIB-UHFFFAOYSA-N
MW255.34 g/mol
LogP2.08
Rot. Bonds4

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

2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (PubChem CID 3458981) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
PubChem CID3458981
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
SMILESCC(Sc1nnc(C2CCCCC2)o1)C(N)=O
InChIInChI=1S/C11H17N3O2S/c1-7(9(12)15)17-11-14-13-10(16-11)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H2,12,15)
InChIKeyFFAZBEMOBXPEIB-UHFFFAOYSA-N
XLogP2.08
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one
CID 42988116
2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)propan-1-one
CID 51128680
ethyl 5-[(2R)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 7957453
(2R)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methoxyphenyl)propanamide
CID 40608920
(2S)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methylpropyl)propanamide
CID 9373792
(2S)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 9487644
(2S)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-nitrophenyl)propanamide
CID 7405057
2-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid
CID 62590738
(2R)-2-[[5-[(3S)-1,1-dioxothiolan-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylpropanamide
CID 9389209
2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 51127851
(2R)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 52514569
N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-2-methylpropanamide
CID 16820583

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of 2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (CID 3458981) is 2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for 2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for 2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is CC(Sc1nnc(C2CCCCC2)o1)C(N)=O.
What is the InChIKey of 2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The InChIKey is FFAZBEMOBXPEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-7(9(12)15)17-11-14-13-10(16-11)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H2,12,15).
What are the key properties of 2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide has a molecular weight of 255.34 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 3458981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).