[(2R)-2-ethylpiperidin-1-yl]-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanone

C23H25N3O3 — CID 2034209

IUPAC[(2R)-2-ethylpiperidin-1-yl]-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanone
SMILESCC[C@@H]1CCCCN1C(=O)c1ccccc1-c1nc(-c2ccccc2OC)no1
InChIInChI=1S/C23H25N3O3/c1-3-16-10-8-9-15-26(16)23(27)18-12-5-4-11-17(18)22-24-21(25-29-22)19-13-6-7-14-20(19)28-2/h4-7,11-14,16H,3,8-10,15H2,1-2H3/t16-/m1/s1
InChIKeyCRLZYWVLHAHJDJ-MRXNPFEDSA-N
MW391.47 g/mol
LogP4.82
Rot. Bonds5

About [(2R)-2-ethylpiperidin-1-yl]-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanone

[(2R)-2-ethylpiperidin-1-yl]-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanone (PubChem CID 2034209) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is [(2R)-2-ethylpiperidin-1-yl]-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanone.

Molecular Properties

Compound Name[(2R)-2-ethylpiperidin-1-yl]-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanone
PubChem CID2034209
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name[(2R)-2-ethylpiperidin-1-yl]-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanone
SMILESCC[C@@H]1CCCCN1C(=O)c1ccccc1-c1nc(-c2ccccc2OC)no1
InChIInChI=1S/C23H25N3O3/c1-3-16-10-8-9-15-26(16)23(27)18-12-5-4-11-17(18)22-24-21(25-29-22)19-13-6-7-14-20(19)28-2/h4-7,11-14,16H,3,8-10,15H2,1-2H3/t16-/m1/s1
InChIKeyCRLZYWVLHAHJDJ-MRXNPFEDSA-N
XLogP4.82
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2R)-2-ethylpiperidin-1-yl]-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanone with MolForge

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Related Compounds

[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone
CID 1249644
(2-ethylpiperidin-1-yl)-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 110391726
2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 23008025
(2-methoxyphenyl)-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 53039319
(2,6-dimethoxyphenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 683288
(2-ethylazepan-1-yl)-(2-hydroxyphenyl)methanone
CID 112692526
pyrrolidin-1-yl-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanone
CID 5133126
(2-ethylpiperidin-1-yl)-[5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]methanone
CID 45230539
[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 67158401
[2-(2-aminoethyl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 63755191
[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone
CID 4293558
(2-ethylpiperidin-1-yl)-[2-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]methanone
CID 109257901

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-ethylpiperidin-1-yl]-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanone?
The IUPAC name of [(2R)-2-ethylpiperidin-1-yl]-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanone (CID 2034209) is [(2R)-2-ethylpiperidin-1-yl]-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanone.
What is the SMILES notation for [(2R)-2-ethylpiperidin-1-yl]-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanone?
The canonical SMILES for [(2R)-2-ethylpiperidin-1-yl]-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanone is CC[C@@H]1CCCCN1C(=O)c1ccccc1-c1nc(-c2ccccc2OC)no1.
What is the InChIKey of [(2R)-2-ethylpiperidin-1-yl]-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanone?
The InChIKey is CRLZYWVLHAHJDJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-3-16-10-8-9-15-26(16)23(27)18-12-5-4-11-17(18)22-24-21(25-29-22)19-13-6-7-14-20(19)28-2/h4-7,11-14,16H,3,8-10,15H2,1-2H3/t16-/m1/s1.
What are the key properties of [(2R)-2-ethylpiperidin-1-yl]-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanone?
[(2R)-2-ethylpiperidin-1-yl]-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanone has a molecular weight of 391.47 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-ethylpiperidin-1-yl]-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanone is sourced from PubChem (CID 2034209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).