(2R)-2-[(1R)-1-hydroxy-1-(4-methoxyphenyl)ethyl]-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide

C22H24N4O4 — CID 97088441

IUPAC(2R)-2-[(1R)-1-hydroxy-1-(4-methoxyphenyl)ethyl]-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc([C@@](C)(O)[C@H]2CCCN2C(=O)Nc2cccc(-c3nnco3)c2)cc1
InChIInChI=1S/C22H24N4O4/c1-22(28,16-8-10-18(29-2)11-9-16)19-7-4-12-26(19)21(27)24-17-6-3-5-15(13-17)20-25-23-14-30-20/h3,5-6,8-11,13-14,19,28H,4,7,12H2,1-2H3,(H,24,27)/t19-,22-/m1/s1
InChIKeyXKQIIQAXUXVIIA-DENIHFKCSA-N
MW408.46 g/mol
LogP3.65
Rot. Bonds5

About (2R)-2-[(1R)-1-hydroxy-1-(4-methoxyphenyl)ethyl]-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide

(2R)-2-[(1R)-1-hydroxy-1-(4-methoxyphenyl)ethyl]-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 97088441) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is (2R)-2-[(1R)-1-hydroxy-1-(4-methoxyphenyl)ethyl]-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-[(1R)-1-hydroxy-1-(4-methoxyphenyl)ethyl]-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide
PubChem CID97088441
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name(2R)-2-[(1R)-1-hydroxy-1-(4-methoxyphenyl)ethyl]-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc([C@@](C)(O)[C@H]2CCCN2C(=O)Nc2cccc(-c3nnco3)c2)cc1
InChIInChI=1S/C22H24N4O4/c1-22(28,16-8-10-18(29-2)11-9-16)19-7-4-12-26(19)21(27)24-17-6-3-5-15(13-17)20-25-23-14-30-20/h3,5-6,8-11,13-14,19,28H,4,7,12H2,1-2H3,(H,24,27)/t19-,22-/m1/s1
InChIKeyXKQIIQAXUXVIIA-DENIHFKCSA-N
XLogP3.65
TPSA100.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

furan-2-yl-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]methanone
CID 128974674
[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]-(2-propyl-1,3-oxazol-4-yl)methanone
CID 167887230
(2R)-N-(3-chloro-1-benzothiophen-2-yl)-2-[(1S)-1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide
CID 97088434
(2-chlorofuran-3-yl)-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]methanone
CID 129007482
(2S)-2-(hydroxymethyl)-N-[3-(3-methoxyphenyl)phenyl]pyrrolidine-1-carboxamide
CID 72849322
1-[4-[3-(1,3,4-oxadiazol-2-yl)anilino]piperidin-1-yl]ethanone
CID 43770533
2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-6-oxopiperidine-3-carboxamide
CID 43056144
(2,6-dimethylpyrimidin-4-yl)-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]methanone
CID 128994946
1-cycloheptyl-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea
CID 47033580
tert-butyl (3S)-3-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]piperidine-1-carboxylate
CID 97224735
[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 128974683
2-(hydroxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 60582022

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-1-hydroxy-1-(4-methoxyphenyl)ethyl]-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-[(1R)-1-hydroxy-1-(4-methoxyphenyl)ethyl]-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide (CID 97088441) is (2R)-2-[(1R)-1-hydroxy-1-(4-methoxyphenyl)ethyl]-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-[(1R)-1-hydroxy-1-(4-methoxyphenyl)ethyl]-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-[(1R)-1-hydroxy-1-(4-methoxyphenyl)ethyl]-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide is COc1ccc([C@@](C)(O)[C@H]2CCCN2C(=O)Nc2cccc(-c3nnco3)c2)cc1.
What is the InChIKey of (2R)-2-[(1R)-1-hydroxy-1-(4-methoxyphenyl)ethyl]-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is XKQIIQAXUXVIIA-DENIHFKCSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-22(28,16-8-10-18(29-2)11-9-16)19-7-4-12-26(19)21(27)24-17-6-3-5-15(13-17)20-25-23-14-30-20/h3,5-6,8-11,13-14,19,28H,4,7,12H2,1-2H3,(H,24,27)/t19-,22-/m1/s1.
What are the key properties of (2R)-2-[(1R)-1-hydroxy-1-(4-methoxyphenyl)ethyl]-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide?
(2R)-2-[(1R)-1-hydroxy-1-(4-methoxyphenyl)ethyl]-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-1-hydroxy-1-(4-methoxyphenyl)ethyl]-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 97088441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).