(4R)-1-cyclohexyl-4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one

C19H23N3O3 — CID 99746311

IUPAC(4R)-1-cyclohexyl-4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
SMILESCOc1cccc(-c2nc([C@@H]3CC(=O)N(C4CCCCC4)C3)no2)c1
InChIInChI=1S/C19H23N3O3/c1-24-16-9-5-6-13(10-16)19-20-18(21-25-19)14-11-17(23)22(12-14)15-7-3-2-4-8-15/h5-6,9-10,14-15H,2-4,7-8,11-12H2,1H3/t14-/m1/s1
InChIKeyTZLDPWDZNOFGRR-CQSZACIVSA-N
MW341.41 g/mol
LogP3.39
Rot. Bonds4

About (4R)-1-cyclohexyl-4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one

(4R)-1-cyclohexyl-4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one (PubChem CID 99746311) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (4R)-1-cyclohexyl-4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-cyclohexyl-4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
PubChem CID99746311
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(4R)-1-cyclohexyl-4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
SMILESCOc1cccc(-c2nc([C@@H]3CC(=O)N(C4CCCCC4)C3)no2)c1
InChIInChI=1S/C19H23N3O3/c1-24-16-9-5-6-13(10-16)19-20-18(21-25-19)14-11-17(23)22(12-14)15-7-3-2-4-8-15/h5-6,9-10,14-15H,2-4,7-8,11-12H2,1H3/t14-/m1/s1
InChIKeyTZLDPWDZNOFGRR-CQSZACIVSA-N
XLogP3.39
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclohexyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one
CID 91916927
(4S)-1-cyclohexyl-4-[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 99746308
(4S)-1-cyclohexyl-4-[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 99768582
4-[5-(3-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]-1-cyclopropylpyrrolidin-2-one
CID 146135279
(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
(4R)-1-(4-methoxyphenyl)-4-[5-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 99742098
(4R)-1-cyclohexyl-4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 99746263
1-cyclohexyl-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 71689820
1-cyclohexyl-4-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one
CID 91916902
(4R)-4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-1-cyclohexylpyrrolidin-2-one
CID 129452872
2-(3-methoxyphenyl)-1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone
CID 53121815

Frequently Asked Questions

What is the IUPAC name of (4R)-1-cyclohexyl-4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-cyclohexyl-4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one (CID 99746311) is (4R)-1-cyclohexyl-4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-cyclohexyl-4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-cyclohexyl-4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one is COc1cccc(-c2nc([C@@H]3CC(=O)N(C4CCCCC4)C3)no2)c1.
What is the InChIKey of (4R)-1-cyclohexyl-4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
The InChIKey is TZLDPWDZNOFGRR-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-24-16-9-5-6-13(10-16)19-20-18(21-25-19)14-11-17(23)22(12-14)15-7-3-2-4-8-15/h5-6,9-10,14-15H,2-4,7-8,11-12H2,1H3/t14-/m1/s1.
What are the key properties of (4R)-1-cyclohexyl-4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
(4R)-1-cyclohexyl-4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one has a molecular weight of 341.41 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-cyclohexyl-4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 99746311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).