2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol

C12H22N4O2 — CID 47020398

IUPAC2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol
SMILESCC(C)c1noc(CN2CCN(CCO)CC2)n1
InChIInChI=1S/C12H22N4O2/c1-10(2)12-13-11(18-14-12)9-16-5-3-15(4-6-16)7-8-17/h10,17H,3-9H2,1-2H3
InChIKeyMDRLFCIYOXHAQB-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.30
Rot. Bonds5

About 2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol

2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol (PubChem CID 47020398) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol
PubChem CID47020398
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol
SMILESCC(C)c1noc(CN2CCN(CCO)CC2)n1
InChIInChI=1S/C12H22N4O2/c1-10(2)12-13-11(18-14-12)9-16-5-3-15(4-6-16)7-8-17/h10,17H,3-9H2,1-2H3
InChIKeyMDRLFCIYOXHAQB-UHFFFAOYSA-N
XLogP0.30
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol 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-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol (CID 47020398) is 2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol is CC(C)c1noc(CN2CCN(CCO)CC2)n1.
What is the InChIKey of 2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol?
The InChIKey is MDRLFCIYOXHAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-10(2)12-13-11(18-14-12)9-16-5-3-15(4-6-16)7-8-17/h10,17H,3-9H2,1-2H3.
What are the key properties of 2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol?
2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol has a molecular weight of 254.33 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 47020398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).