(4-ethylpiperazin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone

C17H21N3O2 — CID 700860

IUPAC(4-ethylpiperazin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
SMILESCCN1CCN(C(=O)c2c(-c3ccccc3)noc2C)CC1
InChIInChI=1S/C17H21N3O2/c1-3-19-9-11-20(12-10-19)17(21)15-13(2)22-18-16(15)14-7-5-4-6-8-14/h4-8H,3,9-12H2,1-2H3
InChIKeyITEPPWPIXHBMLB-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.43
Rot. Bonds3

About (4-ethylpiperazin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone

(4-ethylpiperazin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone (PubChem CID 700860) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
PubChem CID700860
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(4-ethylpiperazin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
SMILESCCN1CCN(C(=O)c2c(-c3ccccc3)noc2C)CC1
InChIInChI=1S/C17H21N3O2/c1-3-19-9-11-20(12-10-19)17(21)15-13(2)22-18-16(15)14-7-5-4-6-8-14/h4-8H,3,9-12H2,1-2H3
InChIKeyITEPPWPIXHBMLB-UHFFFAOYSA-N
XLogP2.43
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-ethylpiperazin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-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 (4-ethylpiperazin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone (CID 700860) is (4-ethylpiperazin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone is CCN1CCN(C(=O)c2c(-c3ccccc3)noc2C)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The InChIKey is ITEPPWPIXHBMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-3-19-9-11-20(12-10-19)17(21)15-13(2)22-18-16(15)14-7-5-4-6-8-14/h4-8H,3,9-12H2,1-2H3.
What are the key properties of (4-ethylpiperazin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
(4-ethylpiperazin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone has a molecular weight of 299.37 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 700860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).