3-methyl-5-[(2-methyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole

C13H23N3O — CID 64937195

IUPAC3-methyl-5-[(2-methyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole
SMILESCc1cc(CN2CC(C(C)C)NCC2C)on1
InChIInChI=1S/C13H23N3O/c1-9(2)13-8-16(11(4)6-14-13)7-12-5-10(3)15-17-12/h5,9,11,13-14H,6-8H2,1-4H3
InChIKeyUWZPHYWJLQMQCJ-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.80
Rot. Bonds3

About 3-methyl-5-[(2-methyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole

3-methyl-5-[(2-methyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole (PubChem CID 64937195) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-methyl-5-[(2-methyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[(2-methyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole
PubChem CID64937195
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-methyl-5-[(2-methyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole
SMILESCc1cc(CN2CC(C(C)C)NCC2C)on1
InChIInChI=1S/C13H23N3O/c1-9(2)13-8-16(11(4)6-14-13)7-12-5-10(3)15-17-12/h5,9,11,13-14H,6-8H2,1-4H3
InChIKeyUWZPHYWJLQMQCJ-UHFFFAOYSA-N
XLogP1.80
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-5-[(2-methyl-5-propan-2-ylpiperazin-1-yl)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-methyl-5-[(2-methyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[(2-methyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole (CID 64937195) is 3-methyl-5-[(2-methyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[(2-methyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[(2-methyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole is Cc1cc(CN2CC(C(C)C)NCC2C)on1.
What is the InChIKey of 3-methyl-5-[(2-methyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole?
The InChIKey is UWZPHYWJLQMQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-9(2)13-8-16(11(4)6-14-13)7-12-5-10(3)15-17-12/h5,9,11,13-14H,6-8H2,1-4H3.
What are the key properties of 3-methyl-5-[(2-methyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole?
3-methyl-5-[(2-methyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole has a molecular weight of 237.35 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(2-methyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 64937195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).