(2R)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide

C22H24N4O3 — CID 95057957

IUPAC(2R)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide
SMILESCOc1ccccc1-c1noc([C@H]2CCCN2C(=O)NCCc2ccccc2)n1
InChIInChI=1S/C22H24N4O3/c1-28-19-12-6-5-10-17(19)20-24-21(29-25-20)18-11-7-15-26(18)22(27)23-14-13-16-8-3-2-4-9-16/h2-6,8-10,12,18H,7,11,13-15H2,1H3,(H,23,27)/t18-/m1/s1
InChIKeyAPAPFOKCAXSQTD-GOSISDBHSA-N
MW392.46 g/mol
LogP3.83
Rot. Bonds6

About (2R)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide

(2R)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide (PubChem CID 95057957) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is (2R)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide
PubChem CID95057957
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name(2R)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide
SMILESCOc1ccccc1-c1noc([C@H]2CCCN2C(=O)NCCc2ccccc2)n1
InChIInChI=1S/C22H24N4O3/c1-28-19-12-6-5-10-17(19)20-24-21(29-25-20)18-11-7-15-26(18)22(27)23-14-13-16-8-3-2-4-9-16/h2-6,8-10,12,18H,7,11,13-15H2,1H3,(H,23,27)/t18-/m1/s1
InChIKeyAPAPFOKCAXSQTD-GOSISDBHSA-N
XLogP3.83
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-benzyl-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95057942
(2S)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpyrrolidine-1-carboxamide
CID 95057959
2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpyrrolidine-1-carboxamide
CID 53039498
(2S)-N-cyclopentyl-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95057944
(2R)-N-cyclohexyl-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95057885
N-(3,4-dimethylphenyl)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 53039469
(2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 95116695
(2S)-N-(2-ethoxyphenyl)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95057927
(2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 95057746
(2-methoxyphenyl)-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 53039319
N-(4-ethoxyphenyl)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 53039465
N-(2,3-dimethylphenyl)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 53039468

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide (CID 95057957) is (2R)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide is COc1ccccc1-c1noc([C@H]2CCCN2C(=O)NCCc2ccccc2)n1.
What is the InChIKey of (2R)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide?
The InChIKey is APAPFOKCAXSQTD-GOSISDBHSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-28-19-12-6-5-10-17(19)20-24-21(29-25-20)18-11-7-15-26(18)22(27)23-14-13-16-8-3-2-4-9-16/h2-6,8-10,12,18H,7,11,13-15H2,1H3,(H,23,27)/t18-/m1/s1.
What are the key properties of (2R)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide?
(2R)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 95057957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).