5-[[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]methyl]-1-ethylpyridin-2-one

C19H26N4O3 — CID 53191704

IUPAC5-[[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]methyl]-1-ethylpyridin-2-one
SMILESCCn1cc(CN2CCN(C(=O)Cc3c(C)noc3C)CC2)ccc1=O
InChIInChI=1S/C19H26N4O3/c1-4-22-13-16(5-6-18(22)24)12-21-7-9-23(10-8-21)19(25)11-17-14(2)20-26-15(17)3/h5-6,13H,4,7-12H2,1-3H3
InChIKeyANDSAMMHQZGRNK-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.36
Rot. Bonds5

About 5-[[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]methyl]-1-ethylpyridin-2-one

5-[[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]methyl]-1-ethylpyridin-2-one (PubChem CID 53191704) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 5-[[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]methyl]-1-ethylpyridin-2-one.

Molecular Properties

Compound Name5-[[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]methyl]-1-ethylpyridin-2-one
PubChem CID53191704
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name5-[[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]methyl]-1-ethylpyridin-2-one
SMILESCCn1cc(CN2CCN(C(=O)Cc3c(C)noc3C)CC2)ccc1=O
InChIInChI=1S/C19H26N4O3/c1-4-22-13-16(5-6-18(22)24)12-21-7-9-23(10-8-21)19(25)11-17-14(2)20-26-15(17)3/h5-6,13H,4,7-12H2,1-3H3
InChIKeyANDSAMMHQZGRNK-UHFFFAOYSA-N
XLogP1.36
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]methyl]-1-ethylpyridin-2-one 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 5-[[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]methyl]-1-ethylpyridin-2-one?
The IUPAC name of 5-[[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]methyl]-1-ethylpyridin-2-one (CID 53191704) is 5-[[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]methyl]-1-ethylpyridin-2-one.
What is the SMILES notation for 5-[[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]methyl]-1-ethylpyridin-2-one?
The canonical SMILES for 5-[[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]methyl]-1-ethylpyridin-2-one is CCn1cc(CN2CCN(C(=O)Cc3c(C)noc3C)CC2)ccc1=O.
What is the InChIKey of 5-[[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]methyl]-1-ethylpyridin-2-one?
The InChIKey is ANDSAMMHQZGRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-4-22-13-16(5-6-18(22)24)12-21-7-9-23(10-8-21)19(25)11-17-14(2)20-26-15(17)3/h5-6,13H,4,7-12H2,1-3H3.
What are the key properties of 5-[[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]methyl]-1-ethylpyridin-2-one?
5-[[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]methyl]-1-ethylpyridin-2-one has a molecular weight of 358.44 g/mol, XLogP of 1.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]methyl]-1-ethylpyridin-2-one is sourced from PubChem (CID 53191704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).