3-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole

C14H25N3O2 — CID 95602502

IUPAC3-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCC[C@H]1CN(Cc2cc(C)on2)CCN1CCOC
InChIInChI=1S/C14H25N3O2/c1-4-14-11-16(5-6-17(14)7-8-18-3)10-13-9-12(2)19-15-13/h9,14H,4-8,10-11H2,1-3H3/t14-/m0/s1
InChIKeyVBIYGWXYMFXSJZ-AWEZNQCLSA-N
MW267.37 g/mol
LogP1.53
Rot. Bonds6

About 3-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole

3-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole (PubChem CID 95602502) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
PubChem CID95602502
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name3-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCC[C@H]1CN(Cc2cc(C)on2)CCN1CCOC
InChIInChI=1S/C14H25N3O2/c1-4-14-11-16(5-6-17(14)7-8-18-3)10-13-9-12(2)19-15-13/h9,14H,4-8,10-11H2,1-3H3/t14-/m0/s1
InChIKeyVBIYGWXYMFXSJZ-AWEZNQCLSA-N
XLogP1.53
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-5-methyl-1,2-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 3-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole (CID 95602502) is 3-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole is CC[C@H]1CN(Cc2cc(C)on2)CCN1CCOC.
What is the InChIKey of 3-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The InChIKey is VBIYGWXYMFXSJZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-4-14-11-16(5-6-17(14)7-8-18-3)10-13-9-12(2)19-15-13/h9,14H,4-8,10-11H2,1-3H3/t14-/m0/s1.
What are the key properties of 3-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
3-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole has a molecular weight of 267.37 g/mol, XLogP of 1.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 95602502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).