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

C15H22N2O2 — CID 71873394

IUPAC2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
SMILESCC(C)c1ocnc1C(=O)N1CCCC2CCCC21
InChIInChI=1S/C15H22N2O2/c1-10(2)14-13(16-9-19-14)15(18)17-8-4-6-11-5-3-7-12(11)17/h9-12H,3-8H2,1-2H3
InChIKeyABFJZEDDPXVHAN-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.20
Rot. Bonds2

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

2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(5-propan-2-yl-1,3-oxazol-4-yl)methanone (PubChem CID 71873394) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(5-propan-2-yl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
PubChem CID71873394
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
SMILESCC(C)c1ocnc1C(=O)N1CCCC2CCCC21
InChIInChI=1S/C15H22N2O2/c1-10(2)14-13(16-9-19-14)15(18)17-8-4-6-11-5-3-7-12(11)17/h9-12H,3-8H2,1-2H3
InChIKeyABFJZEDDPXVHAN-UHFFFAOYSA-N
XLogP3.20
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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-(5-propan-2-yl-1,3-oxazol-4-yl)methanone?
The IUPAC name of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(5-propan-2-yl-1,3-oxazol-4-yl)methanone (CID 71873394) is 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(5-propan-2-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-(5-propan-2-yl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(5-propan-2-yl-1,3-oxazol-4-yl)methanone is CC(C)c1ocnc1C(=O)N1CCCC2CCCC21.
What is the InChIKey of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(5-propan-2-yl-1,3-oxazol-4-yl)methanone?
The InChIKey is ABFJZEDDPXVHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10(2)14-13(16-9-19-14)15(18)17-8-4-6-11-5-3-7-12(11)17/h9-12H,3-8H2,1-2H3.
What are the key properties of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(5-propan-2-yl-1,3-oxazol-4-yl)methanone?
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(5-propan-2-yl-1,3-oxazol-4-yl)methanone has a molecular weight of 262.35 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 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-(5-propan-2-yl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 71873394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).