2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[2-(oxan-4-yl)-1,3-oxazol-4-yl]methanone

C17H24N2O3 — CID 127895119

IUPAC2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[2-(oxan-4-yl)-1,3-oxazol-4-yl]methanone
SMILESO=C(c1coc(C2CCOCC2)n1)N1CCCC2CCCC21
InChIInChI=1S/C17H24N2O3/c20-17(19-8-2-4-12-3-1-5-15(12)19)14-11-22-16(18-14)13-6-9-21-10-7-13/h11-13,15H,1-10H2
InChIKeyPURJGTZSUVRJLS-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.97
Rot. Bonds2

About 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[2-(oxan-4-yl)-1,3-oxazol-4-yl]methanone

2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[2-(oxan-4-yl)-1,3-oxazol-4-yl]methanone (PubChem CID 127895119) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[2-(oxan-4-yl)-1,3-oxazol-4-yl]methanone.

Molecular Properties

Compound Name2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[2-(oxan-4-yl)-1,3-oxazol-4-yl]methanone
PubChem CID127895119
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[2-(oxan-4-yl)-1,3-oxazol-4-yl]methanone
SMILESO=C(c1coc(C2CCOCC2)n1)N1CCCC2CCCC21
InChIInChI=1S/C17H24N2O3/c20-17(19-8-2-4-12-3-1-5-15(12)19)14-11-22-16(18-14)13-6-9-21-10-7-13/h11-13,15H,1-10H2
InChIKeyPURJGTZSUVRJLS-UHFFFAOYSA-N
XLogP2.97
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[2-(oxan-4-yl)-1,3-oxazol-4-yl]methanone?
The IUPAC name of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[2-(oxan-4-yl)-1,3-oxazol-4-yl]methanone (CID 127895119) is 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[2-(oxan-4-yl)-1,3-oxazol-4-yl]methanone.
What is the SMILES notation for 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[2-(oxan-4-yl)-1,3-oxazol-4-yl]methanone?
The canonical SMILES for 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[2-(oxan-4-yl)-1,3-oxazol-4-yl]methanone is O=C(c1coc(C2CCOCC2)n1)N1CCCC2CCCC21.
What is the InChIKey of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[2-(oxan-4-yl)-1,3-oxazol-4-yl]methanone?
The InChIKey is PURJGTZSUVRJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c20-17(19-8-2-4-12-3-1-5-15(12)19)14-11-22-16(18-14)13-6-9-21-10-7-13/h11-13,15H,1-10H2.
What are the key properties of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[2-(oxan-4-yl)-1,3-oxazol-4-yl]methanone?
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[2-(oxan-4-yl)-1,3-oxazol-4-yl]methanone has a molecular weight of 304.39 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[2-(oxan-4-yl)-1,3-oxazol-4-yl]methanone is sourced from PubChem (CID 127895119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).