2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-oxazole

C13H22N4O — CID 126892405

IUPAC2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-oxazole
SMILESCC(C)N1CCN(C2CN(c3ncco3)C2)CC1
InChIInChI=1S/C13H22N4O/c1-11(2)15-4-6-16(7-5-15)12-9-17(10-12)13-14-3-8-18-13/h3,8,11-12H,4-7,9-10H2,1-2H3
InChIKeyWWROUTOPEPGNEU-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.89
Rot. Bonds3

About 2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-oxazole

2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-oxazole (PubChem CID 126892405) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-oxazole
PubChem CID126892405
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-oxazole
SMILESCC(C)N1CCN(C2CN(c3ncco3)C2)CC1
InChIInChI=1S/C13H22N4O/c1-11(2)15-4-6-16(7-5-15)12-9-17(10-12)13-14-3-8-18-13/h3,8,11-12H,4-7,9-10H2,1-2H3
InChIKeyWWROUTOPEPGNEU-UHFFFAOYSA-N
XLogP0.89
TPSA35.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-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

Related Compounds

2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-benzoxazole
CID 126892246
5-fluoro-4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine
CID 126892432
5-methyl-2-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-oxazole
CID 126892374
3-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyridazine
CID 126892343
4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]quinazoline
CID 126892410
1-[1-(2,2-dimethylpropyl)azetidin-3-yl]-4-propan-2-ylpiperazine
CID 146180125
2-methyl-5-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3,4-thiadiazole
CID 126892292
2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-oxazole
CID 178031910
2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-1,3-oxazole
CID 126901538
2-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 126892376
4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]sulfonyl-1,2-oxazole
CID 126892300
2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 126892414

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-oxazole?
The IUPAC name of 2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-oxazole (CID 126892405) is 2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-oxazole.
What is the SMILES notation for 2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-oxazole?
The canonical SMILES for 2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-oxazole is CC(C)N1CCN(C2CN(c3ncco3)C2)CC1.
What is the InChIKey of 2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-oxazole?
The InChIKey is WWROUTOPEPGNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-11(2)15-4-6-16(7-5-15)12-9-17(10-12)13-14-3-8-18-13/h3,8,11-12H,4-7,9-10H2,1-2H3.
What are the key properties of 2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-oxazole?
2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-oxazole has a molecular weight of 250.35 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-oxazole is sourced from PubChem (CID 126892405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).