3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-2-hydroxybutyl]propanamide

C17H29N3O3 — CID 25278548

IUPAC3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-2-hydroxybutyl]propanamide
SMILESCC[C@H](O)CNC(=O)CCc1nnc(CCC2CCCCC2)o1
InChIInChI=1S/C17H29N3O3/c1-2-14(21)12-18-15(22)9-11-17-20-19-16(23-17)10-8-13-6-4-3-5-7-13/h13-14,21H,2-12H2,1H3,(H,18,22)/t14-/m0/s1
InChIKeyLGYKDSRVWPGEPW-AWEZNQCLSA-N
MW323.44 g/mol
LogP2.40
Rot. Bonds9

About 3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-2-hydroxybutyl]propanamide

3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-2-hydroxybutyl]propanamide (PubChem CID 25278548) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-2-hydroxybutyl]propanamide.

Molecular Properties

Compound Name3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-2-hydroxybutyl]propanamide
PubChem CID25278548
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-2-hydroxybutyl]propanamide
SMILESCC[C@H](O)CNC(=O)CCc1nnc(CCC2CCCCC2)o1
InChIInChI=1S/C17H29N3O3/c1-2-14(21)12-18-15(22)9-11-17-20-19-16(23-17)10-8-13-6-4-3-5-7-13/h13-14,21H,2-12H2,1H3,(H,18,22)/t14-/m0/s1
InChIKeyLGYKDSRVWPGEPW-AWEZNQCLSA-N
XLogP2.40
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-2-hydroxybutyl]propanamide?
The IUPAC name of 3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-2-hydroxybutyl]propanamide (CID 25278548) is 3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-2-hydroxybutyl]propanamide.
What is the SMILES notation for 3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-2-hydroxybutyl]propanamide?
The canonical SMILES for 3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-2-hydroxybutyl]propanamide is CC[C@H](O)CNC(=O)CCc1nnc(CCC2CCCCC2)o1.
What is the InChIKey of 3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-2-hydroxybutyl]propanamide?
The InChIKey is LGYKDSRVWPGEPW-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-2-14(21)12-18-15(22)9-11-17-20-19-16(23-17)10-8-13-6-4-3-5-7-13/h13-14,21H,2-12H2,1H3,(H,18,22)/t14-/m0/s1.
What are the key properties of 3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-2-hydroxybutyl]propanamide?
3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-2-hydroxybutyl]propanamide has a molecular weight of 323.44 g/mol, XLogP of 2.40, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-2-hydroxybutyl]propanamide is sourced from PubChem (CID 25278548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).