2-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-5-(1-methylpiperidin-3-yl)-4,5-dihydro-1,3-oxazole

C18H27N3O — CID 156731711

IUPAC2-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-5-(1-methylpiperidin-3-yl)-4,5-dihydro-1,3-oxazole
SMILESC=CC1=C(C=C)CN(C2=NCC(C3CCCN(C)C3)O2)CC1
InChIInChI=1S/C18H27N3O/c1-4-14-8-10-21(13-15(14)5-2)18-19-11-17(22-18)16-7-6-9-20(3)12-16/h4-5,16-17H,1-2,6-13H2,3H3
InChIKeyUOCOWXILYLTGPB-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.46
Rot. Bonds3

About 2-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-5-(1-methylpiperidin-3-yl)-4,5-dihydro-1,3-oxazole

2-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-5-(1-methylpiperidin-3-yl)-4,5-dihydro-1,3-oxazole (PubChem CID 156731711) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-5-(1-methylpiperidin-3-yl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-5-(1-methylpiperidin-3-yl)-4,5-dihydro-1,3-oxazole
PubChem CID156731711
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name2-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-5-(1-methylpiperidin-3-yl)-4,5-dihydro-1,3-oxazole
SMILESC=CC1=C(C=C)CN(C2=NCC(C3CCCN(C)C3)O2)CC1
InChIInChI=1S/C18H27N3O/c1-4-14-8-10-21(13-15(14)5-2)18-19-11-17(22-18)16-7-6-9-20(3)12-16/h4-5,16-17H,1-2,6-13H2,3H3
InChIKeyUOCOWXILYLTGPB-UHFFFAOYSA-N
XLogP2.46
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-5-(1-methylpiperidin-3-yl)-4,5-dihydro-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-5-(1-methylpiperidin-3-yl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-5-(1-methylpiperidin-3-yl)-4,5-dihydro-1,3-oxazole (CID 156731711) is 2-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-5-(1-methylpiperidin-3-yl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-5-(1-methylpiperidin-3-yl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-5-(1-methylpiperidin-3-yl)-4,5-dihydro-1,3-oxazole is C=CC1=C(C=C)CN(C2=NCC(C3CCCN(C)C3)O2)CC1.
What is the InChIKey of 2-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-5-(1-methylpiperidin-3-yl)-4,5-dihydro-1,3-oxazole?
The InChIKey is UOCOWXILYLTGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-4-14-8-10-21(13-15(14)5-2)18-19-11-17(22-18)16-7-6-9-20(3)12-16/h4-5,16-17H,1-2,6-13H2,3H3.
What are the key properties of 2-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-5-(1-methylpiperidin-3-yl)-4,5-dihydro-1,3-oxazole?
2-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-5-(1-methylpiperidin-3-yl)-4,5-dihydro-1,3-oxazole has a molecular weight of 301.43 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-5-(1-methylpiperidin-3-yl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 156731711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).