N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-hydroxy-2-phenylacetamide

C18H23N3O3 — CID 111540799

IUPACN-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-hydroxy-2-phenylacetamide
SMILESCC(NC(=O)C(O)c1ccccc1)c1nc(C2CCCCC2)no1
InChIInChI=1S/C18H23N3O3/c1-12(19-17(23)15(22)13-8-4-2-5-9-13)18-20-16(21-24-18)14-10-6-3-7-11-14/h2,4-5,8-9,12,14-15,22H,3,6-7,10-11H2,1H3,(H,19,23)
InChIKeyFWFQFFDXSVPUKS-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.03
Rot. Bonds5

About N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-hydroxy-2-phenylacetamide

N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-hydroxy-2-phenylacetamide (PubChem CID 111540799) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-hydroxy-2-phenylacetamide
PubChem CID111540799
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-hydroxy-2-phenylacetamide
SMILESCC(NC(=O)C(O)c1ccccc1)c1nc(C2CCCCC2)no1
InChIInChI=1S/C18H23N3O3/c1-12(19-17(23)15(22)13-8-4-2-5-9-13)18-20-16(21-24-18)14-10-6-3-7-11-14/h2,4-5,8-9,12,14-15,22H,3,6-7,10-11H2,1H3,(H,19,23)
InChIKeyFWFQFFDXSVPUKS-UHFFFAOYSA-N
XLogP3.03
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119817373
(2S)-N-[(1R)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide
CID 95782764
N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119817375
N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 119817384
3-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 119817400
5-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]furan-3-carboxylic acid
CID 126778226
3-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 122004494
1-[(1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 95960904
2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1-phenylpropan-1-amine;hydrochloride
CID 119948094
(2S)-N-[(1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 96517904
N-[(1S)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 96517898
N-[(1R)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 96517899

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-hydroxy-2-phenylacetamide?
The IUPAC name of N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-hydroxy-2-phenylacetamide (CID 111540799) is N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-hydroxy-2-phenylacetamide is CC(NC(=O)C(O)c1ccccc1)c1nc(C2CCCCC2)no1.
What is the InChIKey of N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-hydroxy-2-phenylacetamide?
The InChIKey is FWFQFFDXSVPUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12(19-17(23)15(22)13-8-4-2-5-9-13)18-20-16(21-24-18)14-10-6-3-7-11-14/h2,4-5,8-9,12,14-15,22H,3,6-7,10-11H2,1H3,(H,19,23).
What are the key properties of N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-hydroxy-2-phenylacetamide?
N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-hydroxy-2-phenylacetamide has a molecular weight of 329.40 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 111540799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).