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

C12H19N3O — CID 4540113

IUPAC3-(1-ethylpiperidin-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole
SMILESCCN1CCCCC1c1noc2c1CCN2
InChIInChI=1S/C12H19N3O/c1-2-15-8-4-3-5-10(15)11-9-6-7-13-12(9)16-14-11/h10,13H,2-8H2,1H3
InChIKeyQXVCYLUUINHAMM-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.19
Rot. Bonds2

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

3-(1-ethylpiperidin-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole (PubChem CID 4540113) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(1-ethylpiperidin-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole.

Molecular Properties

Compound Name3-(1-ethylpiperidin-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole
PubChem CID4540113
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-(1-ethylpiperidin-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole
SMILESCCN1CCCCC1c1noc2c1CCN2
InChIInChI=1S/C12H19N3O/c1-2-15-8-4-3-5-10(15)11-9-6-7-13-12(9)16-14-11/h10,13H,2-8H2,1H3
InChIKeyQXVCYLUUINHAMM-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-ethylpiperidin-2-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 4201906
1-ethyl-3-(1-ethylpiperidin-2-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
CID 3613647
3-(1-ethylpiperidin-2-yl)-1-[2-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 4041891
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-ethylpiperidin-2-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 4035152
1-(4-chloro-2-methylphenyl)-3-(1-ethylpiperidin-2-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 5173174
3-bromo-5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazole
CID 115077953
5-(1-ethylpiperidin-2-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 115078014
3-(1-benzylpiperidin-2-yl)-1-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 3613335
1-[5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 115078039
5-(1-ethylpiperidin-2-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115078020
5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-one
CID 115077951
2-[5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 115078058

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpiperidin-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole?
The IUPAC name of 3-(1-ethylpiperidin-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole (CID 4540113) is 3-(1-ethylpiperidin-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole.
What is the SMILES notation for 3-(1-ethylpiperidin-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole?
The canonical SMILES for 3-(1-ethylpiperidin-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole is CCN1CCCCC1c1noc2c1CCN2.
What is the InChIKey of 3-(1-ethylpiperidin-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole?
The InChIKey is QXVCYLUUINHAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-15-8-4-3-5-10(15)11-9-6-7-13-12(9)16-14-11/h10,13H,2-8H2,1H3.
What are the key properties of 3-(1-ethylpiperidin-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole?
3-(1-ethylpiperidin-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole has a molecular weight of 221.30 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpiperidin-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole is sourced from PubChem (CID 4540113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).