(4R)-4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-1-cyclohexylpyrrolidin-2-one

C16H23N3O2 — CID 129452872

IUPAC(4R)-4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-1-cyclohexylpyrrolidin-2-one
SMILESO=C1C[C@@H](c2noc(C3CCC3)n2)CN1C1CCCCC1
InChIInChI=1S/C16H23N3O2/c20-14-9-12(10-19(14)13-7-2-1-3-8-13)15-17-16(21-18-15)11-5-4-6-11/h11-13H,1-10H2/t12-/m1/s1
InChIKeyYPRRRHAHLXBKRX-GFCCVEGCSA-N
MW289.38 g/mol
LogP2.99
Rot. Bonds3

About (4R)-4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-1-cyclohexylpyrrolidin-2-one

(4R)-4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-1-cyclohexylpyrrolidin-2-one (PubChem CID 129452872) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (4R)-4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-1-cyclohexylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-1-cyclohexylpyrrolidin-2-one
PubChem CID129452872
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(4R)-4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-1-cyclohexylpyrrolidin-2-one
SMILESO=C1C[C@@H](c2noc(C3CCC3)n2)CN1C1CCCCC1
InChIInChI=1S/C16H23N3O2/c20-14-9-12(10-19(14)13-7-2-1-3-8-13)15-17-16(21-18-15)11-5-4-6-11/h11-13H,1-10H2/t12-/m1/s1
InChIKeyYPRRRHAHLXBKRX-GFCCVEGCSA-N
XLogP2.99
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-1-cyclohexylpyrrolidin-2-one
CID 91916943
1-cyclohexyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one
CID 91916927
(4S)-1-cyclohexyl-4-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 99746254
(4S)-1-cyclohexyl-4-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 99746330
(4S)-1-cyclohexyl-4-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 99746206
(4R)-1-cyclohexyl-4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 99746263
(4S)-1-cyclohexyl-4-[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 99768582
(4R)-1-cyclohexyl-4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 99746311
1-cyclohexyl-4-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one
CID 91916902
(4S)-1-cyclohexyl-4-[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 99746308
1-cyclopropyl-4-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 71872964
N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 72927239

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-1-cyclohexylpyrrolidin-2-one?
The IUPAC name of (4R)-4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-1-cyclohexylpyrrolidin-2-one (CID 129452872) is (4R)-4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-1-cyclohexylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-1-cyclohexylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-1-cyclohexylpyrrolidin-2-one is O=C1C[C@@H](c2noc(C3CCC3)n2)CN1C1CCCCC1.
What is the InChIKey of (4R)-4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-1-cyclohexylpyrrolidin-2-one?
The InChIKey is YPRRRHAHLXBKRX-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23N3O2/c20-14-9-12(10-19(14)13-7-2-1-3-8-13)15-17-16(21-18-15)11-5-4-6-11/h11-13H,1-10H2/t12-/m1/s1.
What are the key properties of (4R)-4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-1-cyclohexylpyrrolidin-2-one?
(4R)-4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-1-cyclohexylpyrrolidin-2-one has a molecular weight of 289.38 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-1-cyclohexylpyrrolidin-2-one is sourced from PubChem (CID 129452872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).