5-[5-(3-cyclohexyl-3-hydroxycyclobutyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide

C18H22N4O3 — CID 154799225

IUPAC5-[5-(3-cyclohexyl-3-hydroxycyclobutyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(-c2noc(C3CC(O)(C4CCCCC4)C3)n2)cn1
InChIInChI=1S/C18H22N4O3/c19-15(23)14-7-6-11(10-20-14)16-21-17(25-22-16)12-8-18(24,9-12)13-4-2-1-3-5-13/h6-7,10,12-13,24H,1-5,8-9H2,(H2,19,23)
InChIKeyJEUIXAJSXVIDAR-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.42
Rot. Bonds4

About 5-[5-(3-cyclohexyl-3-hydroxycyclobutyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide

5-[5-(3-cyclohexyl-3-hydroxycyclobutyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide (PubChem CID 154799225) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 5-[5-(3-cyclohexyl-3-hydroxycyclobutyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[5-(3-cyclohexyl-3-hydroxycyclobutyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide
PubChem CID154799225
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name5-[5-(3-cyclohexyl-3-hydroxycyclobutyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(-c2noc(C3CC(O)(C4CCCCC4)C3)n2)cn1
InChIInChI=1S/C18H22N4O3/c19-15(23)14-7-6-11(10-20-14)16-21-17(25-22-16)12-8-18(24,9-12)13-4-2-1-3-5-13/h6-7,10,12-13,24H,1-5,8-9H2,(H2,19,23)
InChIKeyJEUIXAJSXVIDAR-UHFFFAOYSA-N
XLogP2.42
TPSA115.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[5-(3-cyclohexyl-3-hydroxycyclobutyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

5-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide
CID 154741779
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 61339415
3-(aminomethyl)-6-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)pyrazine-2-carboxamide
CID 90974567
5-cyclohexyl-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 957265
N-[2-(cyclooctylamino)-2-oxoethyl]-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46323993
3-(aminomethyl)-6-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)pyrazine-2-carboxamide
CID 68653905
5-cyclopentyl-3-(5-pyridin-2-yl-2-pyridinyl)-1,2,4-oxadiazole
CID 71088340
N-methyl-5-[5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
CID 155022146
ethyl 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoate
CID 53429627
2-cyclopentylsulfinyl-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]ethanone
CID 155192945
[(2R)-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclohexylmethanone
CID 7347777
2-cyclohexyl-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 6487204

Frequently Asked Questions

What is the IUPAC name of 5-[5-(3-cyclohexyl-3-hydroxycyclobutyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide?
The IUPAC name of 5-[5-(3-cyclohexyl-3-hydroxycyclobutyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide (CID 154799225) is 5-[5-(3-cyclohexyl-3-hydroxycyclobutyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[5-(3-cyclohexyl-3-hydroxycyclobutyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-[5-(3-cyclohexyl-3-hydroxycyclobutyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide is NC(=O)c1ccc(-c2noc(C3CC(O)(C4CCCCC4)C3)n2)cn1.
What is the InChIKey of 5-[5-(3-cyclohexyl-3-hydroxycyclobutyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide?
The InChIKey is JEUIXAJSXVIDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c19-15(23)14-7-6-11(10-20-14)16-21-17(25-22-16)12-8-18(24,9-12)13-4-2-1-3-5-13/h6-7,10,12-13,24H,1-5,8-9H2,(H2,19,23).
What are the key properties of 5-[5-(3-cyclohexyl-3-hydroxycyclobutyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide?
5-[5-(3-cyclohexyl-3-hydroxycyclobutyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3-cyclohexyl-3-hydroxycyclobutyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 154799225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).