1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-1,4-diazepan-1-yl]-2-pyridin-2-ylethanone

C18H19N5O2 — CID 134792559

IUPAC1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-1,4-diazepan-1-yl]-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)N1CCCN(c2nc3ncccc3o2)CC1
InChIInChI=1S/C18H19N5O2/c24-16(13-14-5-1-2-7-19-14)22-9-4-10-23(12-11-22)18-21-17-15(25-18)6-3-8-20-17/h1-3,5-8H,4,9-13H2
InChIKeyUHFWLGOXRUFHEM-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.90
Rot. Bonds3

About 1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-1,4-diazepan-1-yl]-2-pyridin-2-ylethanone

1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-1,4-diazepan-1-yl]-2-pyridin-2-ylethanone (PubChem CID 134792559) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-1,4-diazepan-1-yl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-1,4-diazepan-1-yl]-2-pyridin-2-ylethanone
PubChem CID134792559
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-1,4-diazepan-1-yl]-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)N1CCCN(c2nc3ncccc3o2)CC1
InChIInChI=1S/C18H19N5O2/c24-16(13-14-5-1-2-7-19-14)22-9-4-10-23(12-11-22)18-21-17-15(25-18)6-3-8-20-17/h1-3,5-8H,4,9-13H2
InChIKeyUHFWLGOXRUFHEM-UHFFFAOYSA-N
XLogP1.90
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-1,4-diazepan-1-yl]-2-pyridin-2-ylethanone with MolForge

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Related Compounds

2-(2-chlorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone
CID 50754741
2-(4-fluorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone
CID 46270777
2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110696951
(2-bromophenyl)-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 50755015
(4-methylphenyl)-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 46270792
1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-phenylpropan-1-one
CID 46270779
2-pyridin-2-yl-1-(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)ethanone
CID 84589531
[4-(dimethylamino)phenyl]-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 163340026
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 143237953
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 110696933
1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide
CID 110696934
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

Frequently Asked Questions

What is the IUPAC name of 1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-1,4-diazepan-1-yl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-1,4-diazepan-1-yl]-2-pyridin-2-ylethanone (CID 134792559) is 1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-1,4-diazepan-1-yl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-1,4-diazepan-1-yl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-1,4-diazepan-1-yl]-2-pyridin-2-ylethanone is O=C(Cc1ccccn1)N1CCCN(c2nc3ncccc3o2)CC1.
What is the InChIKey of 1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-1,4-diazepan-1-yl]-2-pyridin-2-ylethanone?
The InChIKey is UHFWLGOXRUFHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c24-16(13-14-5-1-2-7-19-14)22-9-4-10-23(12-11-22)18-21-17-15(25-18)6-3-8-20-17/h1-3,5-8H,4,9-13H2.
What are the key properties of 1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-1,4-diazepan-1-yl]-2-pyridin-2-ylethanone?
1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-1,4-diazepan-1-yl]-2-pyridin-2-ylethanone has a molecular weight of 337.38 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-1,4-diazepan-1-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 134792559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).