[4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone

C19H25N3O2 — CID 9271165

IUPAC[4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
SMILESCCc1noc(C)c1C(=O)N1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C19H25N3O2/c1-5-16-18(15(4)24-20-16)19(23)22-11-9-21(10-12-22)17-8-6-7-13(2)14(17)3/h6-8H,5,9-12H2,1-4H3
InChIKeyKDGLRYOAJQCGPD-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.12
Rot. Bonds3

About [4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone

[4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone (PubChem CID 9271165) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is [4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
PubChem CID9271165
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
SMILESCCc1noc(C)c1C(=O)N1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C19H25N3O2/c1-5-16-18(15(4)24-20-16)19(23)22-11-9-21(10-12-22)17-8-6-7-13(2)14(17)3/h6-8H,5,9-12H2,1-4H3
InChIKeyKDGLRYOAJQCGPD-UHFFFAOYSA-N
XLogP3.12
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-ethyl-5-methyl-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-(2,3-dimethylphenyl)piperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone (CID 9271165) is [4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone is CCc1noc(C)c1C(=O)N1CCN(c2cccc(C)c2C)CC1.
What is the InChIKey of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone?
The InChIKey is KDGLRYOAJQCGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-5-16-18(15(4)24-20-16)19(23)22-11-9-21(10-12-22)17-8-6-7-13(2)14(17)3/h6-8H,5,9-12H2,1-4H3.
What are the key properties of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone?
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone has a molecular weight of 327.43 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 9271165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).