3-(1-ethylpiperidin-3-yl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole

C12H19N3O — CID 3477083

IUPAC3-(1-ethylpiperidin-3-yl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole
SMILESCCN1CCCC(c2noc3c2CCN3)C1
InChIInChI=1S/C12H19N3O/c1-2-15-7-3-4-9(8-15)11-10-5-6-13-12(10)16-14-11/h9,13H,2-8H2,1H3
InChIKeyPQYYZEBXGDPVOJ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.84
Rot. Bonds2

About 3-(1-ethylpiperidin-3-yl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole

3-(1-ethylpiperidin-3-yl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole (PubChem CID 3477083) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(1-ethylpiperidin-3-yl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole.

Molecular Properties

Compound Name3-(1-ethylpiperidin-3-yl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole
PubChem CID3477083
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-(1-ethylpiperidin-3-yl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole
SMILESCCN1CCCC(c2noc3c2CCN3)C1
InChIInChI=1S/C12H19N3O/c1-2-15-7-3-4-9(8-15)11-10-5-6-13-12(10)16-14-11/h9,13H,2-8H2,1H3
InChIKeyPQYYZEBXGDPVOJ-UHFFFAOYSA-N
XLogP1.84
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpiperidin-3-yl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole?
The IUPAC name of 3-(1-ethylpiperidin-3-yl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole (CID 3477083) is 3-(1-ethylpiperidin-3-yl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole.
What is the SMILES notation for 3-(1-ethylpiperidin-3-yl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole?
The canonical SMILES for 3-(1-ethylpiperidin-3-yl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole is CCN1CCCC(c2noc3c2CCN3)C1.
What is the InChIKey of 3-(1-ethylpiperidin-3-yl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole?
The InChIKey is PQYYZEBXGDPVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-15-7-3-4-9(8-15)11-10-5-6-13-12(10)16-14-11/h9,13H,2-8H2,1H3.
What are the key properties of 3-(1-ethylpiperidin-3-yl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole?
3-(1-ethylpiperidin-3-yl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole has a molecular weight of 221.30 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpiperidin-3-yl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole is sourced from PubChem (CID 3477083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).