[2-[(2-methoxyethylamino)methyl]-1,3-oxazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

C15H26N4O3 — CID 11638162

IUPAC[2-[(2-methoxyethylamino)methyl]-1,3-oxazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCOCCNCc1nc(C(=O)N2CCN(C(C)C)CC2)co1
InChIInChI=1S/C15H26N4O3/c1-12(2)18-5-7-19(8-6-18)15(20)13-11-22-14(17-13)10-16-4-9-21-3/h11-12,16H,4-10H2,1-3H3
InChIKeyVAJDOQWGIUGYOT-UHFFFAOYSA-N
MW310.40 g/mol
LogP0.58
Rot. Bonds7

About [2-[(2-methoxyethylamino)methyl]-1,3-oxazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

[2-[(2-methoxyethylamino)methyl]-1,3-oxazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 11638162) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is [2-[(2-methoxyethylamino)methyl]-1,3-oxazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-[(2-methoxyethylamino)methyl]-1,3-oxazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID11638162
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Name[2-[(2-methoxyethylamino)methyl]-1,3-oxazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCOCCNCc1nc(C(=O)N2CCN(C(C)C)CC2)co1
InChIInChI=1S/C15H26N4O3/c1-12(2)18-5-7-19(8-6-18)15(20)13-11-22-14(17-13)10-16-4-9-21-3/h11-12,16H,4-10H2,1-3H3
InChIKeyVAJDOQWGIUGYOT-UHFFFAOYSA-N
XLogP0.58
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [2-[(2-methoxyethylamino)methyl]-1,3-oxazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone 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-[(2-methoxyethylamino)methyl]-1,3-oxazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [2-[(2-methoxyethylamino)methyl]-1,3-oxazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 11638162) is [2-[(2-methoxyethylamino)methyl]-1,3-oxazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-[(2-methoxyethylamino)methyl]-1,3-oxazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [2-[(2-methoxyethylamino)methyl]-1,3-oxazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is COCCNCc1nc(C(=O)N2CCN(C(C)C)CC2)co1.
What is the InChIKey of [2-[(2-methoxyethylamino)methyl]-1,3-oxazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is VAJDOQWGIUGYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-12(2)18-5-7-19(8-6-18)15(20)13-11-22-14(17-13)10-16-4-9-21-3/h11-12,16H,4-10H2,1-3H3.
What are the key properties of [2-[(2-methoxyethylamino)methyl]-1,3-oxazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[2-[(2-methoxyethylamino)methyl]-1,3-oxazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 310.40 g/mol, XLogP of 0.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyethylamino)methyl]-1,3-oxazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 11638162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).