2-cyclopentyl-1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone

C13H18N2O2 — CID 67465408

IUPAC2-cyclopentyl-1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone
SMILESO=C(CC1CCCC1)N1CCc2oncc2C1
InChIInChI=1S/C13H18N2O2/c16-13(7-10-3-1-2-4-10)15-6-5-12-11(9-15)8-14-17-12/h8,10H,1-7,9H2
InChIKeyKFPDUMTVUGCUBM-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.14
Rot. Bonds2

About 2-cyclopentyl-1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone

2-cyclopentyl-1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone (PubChem CID 67465408) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-cyclopentyl-1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone
PubChem CID67465408
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-cyclopentyl-1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone
SMILESO=C(CC1CCCC1)N1CCc2oncc2C1
InChIInChI=1S/C13H18N2O2/c16-13(7-10-3-1-2-4-10)15-6-5-12-11(9-15)8-14-17-12/h8,10H,1-7,9H2
InChIKeyKFPDUMTVUGCUBM-UHFFFAOYSA-N
XLogP2.14
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone?
The IUPAC name of 2-cyclopentyl-1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone (CID 67465408) is 2-cyclopentyl-1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-cyclopentyl-1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2-cyclopentyl-1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone is O=C(CC1CCCC1)N1CCc2oncc2C1.
What is the InChIKey of 2-cyclopentyl-1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone?
The InChIKey is KFPDUMTVUGCUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-13(7-10-3-1-2-4-10)15-6-5-12-11(9-15)8-14-17-12/h8,10H,1-7,9H2.
What are the key properties of 2-cyclopentyl-1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone?
2-cyclopentyl-1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone has a molecular weight of 234.30 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 67465408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).