2-(2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-1-yl)-5-chloro-[1,3]oxazolo[4,5-b]pyridine

C13H15ClN4O — CID 171778124

IUPAC2-(2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-1-yl)-5-chloro-[1,3]oxazolo[4,5-b]pyridine
SMILESClc1ccc2oc(N3CCC4CCNCC43)nc2n1
InChIInChI=1S/C13H15ClN4O/c14-11-2-1-10-12(16-11)17-13(19-10)18-6-4-8-3-5-15-7-9(8)18/h1-2,8-9,15H,3-7H2
InChIKeyTXEWDDAJOXIVGD-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.06
Rot. Bonds1

About 2-(2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-1-yl)-5-chloro-[1,3]oxazolo[4,5-b]pyridine

2-(2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-1-yl)-5-chloro-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 171778124) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 2-(2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-1-yl)-5-chloro-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-1-yl)-5-chloro-[1,3]oxazolo[4,5-b]pyridine
PubChem CID171778124
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name2-(2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-1-yl)-5-chloro-[1,3]oxazolo[4,5-b]pyridine
SMILESClc1ccc2oc(N3CCC4CCNCC43)nc2n1
InChIInChI=1S/C13H15ClN4O/c14-11-2-1-10-12(16-11)17-13(19-10)18-6-4-8-3-5-15-7-9(8)18/h1-2,8-9,15H,3-7H2
InChIKeyTXEWDDAJOXIVGD-UHFFFAOYSA-N
XLogP2.06
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-(2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-1-yl)-5-chloro-[1,3]oxazolo[4,5-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2-(7-methyl-2,3,4,4a,5,6,8,8a-octahydro-1,7-naphthyridin-1-yl)-[1,3]oxazolo[4,5-b]pyridine
CID 170171730
5-chloro-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine
CID 118224361
[1-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanol
CID 171778085
2,5-dichloro-[1,3]oxazolo[4,5-b]pyridine
CID 84661804
4-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)-2-methylpiperazine-1-carboxylic acid
CID 155192416
1-(6-bromo-1,2,4-triazin-3-yl)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridine
CID 171553416
8-(4-methylphenyl)-3,8-diazabicyclo[4.2.0]octane
CID 70266351
2-[5-(2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-1-yl)-1-methylimidazo[4,5-b]pyrazin-2-yl]-5-chloro-3-methylphenol
CID 170743472
(3aS,7aR)-1-(5-chloro-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridine
CID 169123246
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-chloropyridin-3-amine
CID 82747499
(1R,6S)-8-(6-methyl-2-pyridinyl)-3,8-diazabicyclo[4.2.0]octane
CID 67116915
5-chloro-N-[(3R)-1-methylpiperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine
CID 171778093

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-1-yl)-5-chloro-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-1-yl)-5-chloro-[1,3]oxazolo[4,5-b]pyridine (CID 171778124) is 2-(2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-1-yl)-5-chloro-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 2-(2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-1-yl)-5-chloro-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 2-(2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-1-yl)-5-chloro-[1,3]oxazolo[4,5-b]pyridine is Clc1ccc2oc(N3CCC4CCNCC43)nc2n1.
What is the InChIKey of 2-(2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-1-yl)-5-chloro-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is TXEWDDAJOXIVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c14-11-2-1-10-12(16-11)17-13(19-10)18-6-4-8-3-5-15-7-9(8)18/h1-2,8-9,15H,3-7H2.
What are the key properties of 2-(2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-1-yl)-5-chloro-[1,3]oxazolo[4,5-b]pyridine?
2-(2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-1-yl)-5-chloro-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 278.74 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-1-yl)-5-chloro-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 171778124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).