2-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole

C9H15N3O — CID 82503884

IUPAC2-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole
SMILESCc1nc(CN2CCNCC2)co1
InChIInChI=1S/C9H15N3O/c1-8-11-9(7-13-8)6-12-4-2-10-3-5-12/h7,10H,2-6H2,1H3
InChIKeyYTXYVZNJYMENDB-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.39
Rot. Bonds2

About 2-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole

2-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole (PubChem CID 82503884) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole
PubChem CID82503884
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole
SMILESCc1nc(CN2CCNCC2)co1
InChIInChI=1S/C9H15N3O/c1-8-11-9(7-13-8)6-12-4-2-10-3-5-12/h7,10H,2-6H2,1H3
InChIKeyYTXYVZNJYMENDB-UHFFFAOYSA-N
XLogP0.39
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-4-(piperazin-1-ylmethyl)-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-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole?
The IUPAC name of 2-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole (CID 82503884) is 2-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole.
What is the SMILES notation for 2-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole?
The canonical SMILES for 2-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole is Cc1nc(CN2CCNCC2)co1.
What is the InChIKey of 2-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole?
The InChIKey is YTXYVZNJYMENDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-8-11-9(7-13-8)6-12-4-2-10-3-5-12/h7,10H,2-6H2,1H3.
What are the key properties of 2-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole?
2-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole has a molecular weight of 181.24 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole is sourced from PubChem (CID 82503884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).