2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-1-(3-pyridin-4-ylazetidin-1-yl)ethanone

C21H23N5O2 — CID 155508879

IUPAC2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-1-(3-pyridin-4-ylazetidin-1-yl)ethanone
SMILESO=C(CC1CCCN(c2nc3ncccc3o2)C1)N1CC(c2ccncc2)C1
InChIInChI=1S/C21H23N5O2/c27-19(26-13-17(14-26)16-5-8-22-9-6-16)11-15-3-2-10-25(12-15)21-24-20-18(28-21)4-1-7-23-20/h1,4-9,15,17H,2-3,10-14H2
InChIKeyZJRNULWCEJCMEQ-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.85
Rot. Bonds4

About 2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-1-(3-pyridin-4-ylazetidin-1-yl)ethanone

2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-1-(3-pyridin-4-ylazetidin-1-yl)ethanone (PubChem CID 155508879) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-1-(3-pyridin-4-ylazetidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-1-(3-pyridin-4-ylazetidin-1-yl)ethanone
PubChem CID155508879
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-1-(3-pyridin-4-ylazetidin-1-yl)ethanone
SMILESO=C(CC1CCCN(c2nc3ncccc3o2)C1)N1CC(c2ccncc2)C1
InChIInChI=1S/C21H23N5O2/c27-19(26-13-17(14-26)16-5-8-22-9-6-16)11-15-3-2-10-25(12-15)21-24-20-18(28-21)4-1-7-23-20/h1,4-9,15,17H,2-3,10-14H2
InChIKeyZJRNULWCEJCMEQ-UHFFFAOYSA-N
XLogP2.85
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]ethanone
CID 154564115
2-methyl-6-[2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 154816114
2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 154823410
N-[(1-methylimidazol-2-yl)methyl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetamide
CID 154566401
ethyl 3-[[2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetyl]amino]propanoate
CID 154564373
1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 134794435
N-[2-(4-methyltriazol-1-yl)ethyl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetamide
CID 155498550
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetamide
CID 154568639
N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetamide
CID 155503397
2-[1-ethyl-5-[[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]methyl]-1,2,4-triazol-3-yl]acetamide
CID 154823845
N-methyl-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 154818915
1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrolidin-3-amine
CID 43831644

Frequently Asked Questions

What is the IUPAC name of 2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-1-(3-pyridin-4-ylazetidin-1-yl)ethanone?
The IUPAC name of 2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-1-(3-pyridin-4-ylazetidin-1-yl)ethanone (CID 155508879) is 2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-1-(3-pyridin-4-ylazetidin-1-yl)ethanone.
What is the SMILES notation for 2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-1-(3-pyridin-4-ylazetidin-1-yl)ethanone?
The canonical SMILES for 2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-1-(3-pyridin-4-ylazetidin-1-yl)ethanone is O=C(CC1CCCN(c2nc3ncccc3o2)C1)N1CC(c2ccncc2)C1.
What is the InChIKey of 2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-1-(3-pyridin-4-ylazetidin-1-yl)ethanone?
The InChIKey is ZJRNULWCEJCMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c27-19(26-13-17(14-26)16-5-8-22-9-6-16)11-15-3-2-10-25(12-15)21-24-20-18(28-21)4-1-7-23-20/h1,4-9,15,17H,2-3,10-14H2.
What are the key properties of 2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-1-(3-pyridin-4-ylazetidin-1-yl)ethanone?
2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-1-(3-pyridin-4-ylazetidin-1-yl)ethanone has a molecular weight of 377.45 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-1-(3-pyridin-4-ylazetidin-1-yl)ethanone is sourced from PubChem (CID 155508879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).