[2-(2-imidazol-1-ylethyl)piperidin-1-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone

C17H19N5O2 — CID 138810233

IUPAC[2-(2-imidazol-1-ylethyl)piperidin-1-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone
SMILESO=C(c1onc2ncccc12)N1CCCCC1CCn1ccnc1
InChIInChI=1S/C17H19N5O2/c23-17(15-14-5-3-7-19-16(14)20-24-15)22-9-2-1-4-13(22)6-10-21-11-8-18-12-21/h3,5,7-8,11-13H,1-2,4,6,9-10H2
InChIKeyRURLXUWNAUJJKX-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.50
Rot. Bonds4

About [2-(2-imidazol-1-ylethyl)piperidin-1-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone

[2-(2-imidazol-1-ylethyl)piperidin-1-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone (PubChem CID 138810233) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is [2-(2-imidazol-1-ylethyl)piperidin-1-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[2-(2-imidazol-1-ylethyl)piperidin-1-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone
PubChem CID138810233
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name[2-(2-imidazol-1-ylethyl)piperidin-1-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone
SMILESO=C(c1onc2ncccc12)N1CCCCC1CCn1ccnc1
InChIInChI=1S/C17H19N5O2/c23-17(15-14-5-3-7-19-16(14)20-24-15)22-9-2-1-4-13(22)6-10-21-11-8-18-12-21/h3,5,7-8,11-13H,1-2,4,6,9-10H2
InChIKeyRURLXUWNAUJJKX-UHFFFAOYSA-N
XLogP2.50
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(2-imidazol-1-ylethyl)-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide
CID 126435717
(4-ethoxyphenyl)-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone
CID 96573519
[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone
CID 99990711
3-[2-(2-imidazol-1-ylethyl)piperidine-1-carbonyl]benzonitrile
CID 56744202
1-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 70730119
(2,3-dimethylquinoxalin-6-yl)-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone
CID 70714193
(2S)-N-[(4-fluorophenyl)methyl]-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide
CID 95722375
(2-ethyl-5-methylpyrazol-3-yl)-[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone
CID 95204610
[2-(2-imidazol-1-ylethyl)piperidin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
CID 50979410
3-(3-chloro-1,2-oxazol-5-yl)-1-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]propan-1-one
CID 97128469
[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone
CID 138807069
(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide
CID 125441252

Frequently Asked Questions

What is the IUPAC name of [2-(2-imidazol-1-ylethyl)piperidin-1-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone?
The IUPAC name of [2-(2-imidazol-1-ylethyl)piperidin-1-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone (CID 138810233) is [2-(2-imidazol-1-ylethyl)piperidin-1-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone.
What is the SMILES notation for [2-(2-imidazol-1-ylethyl)piperidin-1-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone?
The canonical SMILES for [2-(2-imidazol-1-ylethyl)piperidin-1-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone is O=C(c1onc2ncccc12)N1CCCCC1CCn1ccnc1.
What is the InChIKey of [2-(2-imidazol-1-ylethyl)piperidin-1-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone?
The InChIKey is RURLXUWNAUJJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c23-17(15-14-5-3-7-19-16(14)20-24-15)22-9-2-1-4-13(22)6-10-21-11-8-18-12-21/h3,5,7-8,11-13H,1-2,4,6,9-10H2.
What are the key properties of [2-(2-imidazol-1-ylethyl)piperidin-1-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone?
[2-(2-imidazol-1-ylethyl)piperidin-1-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone has a molecular weight of 325.37 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-imidazol-1-ylethyl)piperidin-1-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone is sourced from PubChem (CID 138810233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).