(5S)-5-(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one

C22H21N5O3 — CID 97149297

IUPAC(5S)-5-(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one
SMILESCOc1cccc(CN2C[C@@H](c3nc(-c4cn5ccccc5n4)no3)CCC2=O)c1
InChIInChI=1S/C22H21N5O3/c1-29-17-6-4-5-15(11-17)12-27-13-16(8-9-20(27)28)22-24-21(25-30-22)18-14-26-10-3-2-7-19(26)23-18/h2-7,10-11,14,16H,8-9,12-13H2,1H3/t16-/m0/s1
InChIKeyXFXIRIUZZGXOGS-INIZCTEOSA-N
MW403.44 g/mol
LogP3.30
Rot. Bonds5

About (5S)-5-(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one

(5S)-5-(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one (PubChem CID 97149297) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is (5S)-5-(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one.

Molecular Properties

Compound Name(5S)-5-(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one
PubChem CID97149297
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC Name(5S)-5-(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one
SMILESCOc1cccc(CN2C[C@@H](c3nc(-c4cn5ccccc5n4)no3)CCC2=O)c1
InChIInChI=1S/C22H21N5O3/c1-29-17-6-4-5-15(11-17)12-27-13-16(8-9-20(27)28)22-24-21(25-30-22)18-14-26-10-3-2-7-19(26)23-18/h2-7,10-11,14,16H,8-9,12-13H2,1H3/t16-/m0/s1
InChIKeyXFXIRIUZZGXOGS-INIZCTEOSA-N
XLogP3.30
TPSA85.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one
CID 72925631
(5S)-1-[(3-methoxyphenyl)methyl]-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 97130321
1-[(3-methoxyphenyl)methyl]-5-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-2-one
CID 72876939
(4R)-4-(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 97452777
4-(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 72910573
1-[(3-methoxyphenyl)methyl]-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 72889204
1-cycloheptyl-5-(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-2-one
CID 72905845
1-[4-(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-methoxyethanone
CID 72941150
1-[(3-fluorophenyl)methyl]-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 72838295
2-(3-methoxyphenyl)-1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone
CID 121096693
(4R)-1-benzyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 51894139
(5R)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-[(2-methoxyphenyl)methyl]piperidin-2-one
CID 97123469

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one?
The IUPAC name of (5S)-5-(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one (CID 97149297) is (5S)-5-(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one.
What is the SMILES notation for (5S)-5-(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one?
The canonical SMILES for (5S)-5-(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one is COc1cccc(CN2C[C@@H](c3nc(-c4cn5ccccc5n4)no3)CCC2=O)c1.
What is the InChIKey of (5S)-5-(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one?
The InChIKey is XFXIRIUZZGXOGS-INIZCTEOSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-29-17-6-4-5-15(11-17)12-27-13-16(8-9-20(27)28)22-24-21(25-30-22)18-14-26-10-3-2-7-19(26)23-18/h2-7,10-11,14,16H,8-9,12-13H2,1H3/t16-/m0/s1.
What are the key properties of (5S)-5-(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one?
(5S)-5-(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one has a molecular weight of 403.44 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one is sourced from PubChem (CID 97149297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).