3-[2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one

C28H38N4O2 — CID 67247042

IUPAC3-[2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one
SMILESCC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(CCN5CCOC5=O)CC4)n3)ccc21
InChIInChI=1S/C28H38N4O2/c1-27(2)10-11-28(3,4)23-20-21(8-9-22(23)27)24-6-5-7-25(29-24)31-15-12-30(13-16-31)14-17-32-18-19-34-26(32)33/h5-9,20H,10-19H2,1-4H3
InChIKeyWQCQBDALWHNWOR-UHFFFAOYSA-N
MW462.64 g/mol
LogP4.67
Rot. Bonds5

About 3-[2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one

3-[2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one (PubChem CID 67247042) has the molecular formula C28H38N4O2 and a molecular weight of 462.64 g/mol. Its IUPAC name is 3-[2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one
PubChem CID67247042
Molecular FormulaC28H38N4O2
Molecular Weight462.64 g/mol
Exact Mass462.30
IUPAC Name3-[2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one
SMILESCC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(CCN5CCOC5=O)CC4)n3)ccc21
InChIInChI=1S/C28H38N4O2/c1-27(2)10-11-28(3,4)23-20-21(8-9-22(23)27)24-6-5-7-25(29-24)31-15-12-30(13-16-31)14-17-32-18-19-34-26(32)33/h5-9,20H,10-19H2,1-4H3
InChIKeyWQCQBDALWHNWOR-UHFFFAOYSA-N
XLogP4.67
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.64
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one 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 3-[2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one (CID 67247042) is 3-[2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one is CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCN(CCN5CCOC5=O)CC4)n3)ccc21.
What is the InChIKey of 3-[2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is WQCQBDALWHNWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O2/c1-27(2)10-11-28(3,4)23-20-21(8-9-22(23)27)24-6-5-7-25(29-24)31-15-12-30(13-16-31)14-17-32-18-19-34-26(32)33/h5-9,20H,10-19H2,1-4H3.
What are the key properties of 3-[2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one?
3-[2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 462.64 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 67247042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).