2-[2-(4,5-dihydro-1,3-oxazol-2-yl)hexan-2-yl]-4,5-dihydro-1,3-oxazole

C12H20N2O2 — CID 57028791

IUPAC2-[2-(4,5-dihydro-1,3-oxazol-2-yl)hexan-2-yl]-4,5-dihydro-1,3-oxazole
SMILESCCCCC(C)(C1=NCCO1)C1=NCCO1
InChIInChI=1S/C12H20N2O2/c1-3-4-5-12(2,10-13-6-8-15-10)11-14-7-9-16-11/h3-9H2,1-2H3
InChIKeyDSOFLZYTVYGYTK-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.04
Rot. Bonds5

About 2-[2-(4,5-dihydro-1,3-oxazol-2-yl)hexan-2-yl]-4,5-dihydro-1,3-oxazole

2-[2-(4,5-dihydro-1,3-oxazol-2-yl)hexan-2-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 57028791) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-[2-(4,5-dihydro-1,3-oxazol-2-yl)hexan-2-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[2-(4,5-dihydro-1,3-oxazol-2-yl)hexan-2-yl]-4,5-dihydro-1,3-oxazole
PubChem CID57028791
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-[2-(4,5-dihydro-1,3-oxazol-2-yl)hexan-2-yl]-4,5-dihydro-1,3-oxazole
SMILESCCCCC(C)(C1=NCCO1)C1=NCCO1
InChIInChI=1S/C12H20N2O2/c1-3-4-5-12(2,10-13-6-8-15-10)11-14-7-9-16-11/h3-9H2,1-2H3
InChIKeyDSOFLZYTVYGYTK-UHFFFAOYSA-N
XLogP2.04
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-(4,5-dihydro-1,3-oxazol-2-yl)hexan-2-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-[2-(4,5-dihydro-1,3-oxazol-2-yl)hexan-2-yl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[2-(4,5-dihydro-1,3-oxazol-2-yl)hexan-2-yl]-4,5-dihydro-1,3-oxazole (CID 57028791) is 2-[2-(4,5-dihydro-1,3-oxazol-2-yl)hexan-2-yl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[2-(4,5-dihydro-1,3-oxazol-2-yl)hexan-2-yl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[2-(4,5-dihydro-1,3-oxazol-2-yl)hexan-2-yl]-4,5-dihydro-1,3-oxazole is CCCCC(C)(C1=NCCO1)C1=NCCO1.
What is the InChIKey of 2-[2-(4,5-dihydro-1,3-oxazol-2-yl)hexan-2-yl]-4,5-dihydro-1,3-oxazole?
The InChIKey is DSOFLZYTVYGYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-4-5-12(2,10-13-6-8-15-10)11-14-7-9-16-11/h3-9H2,1-2H3.
What are the key properties of 2-[2-(4,5-dihydro-1,3-oxazol-2-yl)hexan-2-yl]-4,5-dihydro-1,3-oxazole?
2-[2-(4,5-dihydro-1,3-oxazol-2-yl)hexan-2-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 224.30 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,5-dihydro-1,3-oxazol-2-yl)hexan-2-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 57028791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).