2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone

C20H27N3O2 — CID 110371827

IUPAC2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone
SMILESCCc1ccc(-c2nc(CC(=O)N3CCN(CC)CC3)c(C)o2)cc1
InChIInChI=1S/C20H27N3O2/c1-4-16-6-8-17(9-7-16)20-21-18(15(3)25-20)14-19(24)23-12-10-22(5-2)11-13-23/h6-9H,4-5,10-14H2,1-3H3
InChIKeyQLDLFUPXHMVQQN-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.92
Rot. Bonds5

About 2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone

2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone (PubChem CID 110371827) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone
PubChem CID110371827
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone
SMILESCCc1ccc(-c2nc(CC(=O)N3CCN(CC)CC3)c(C)o2)cc1
InChIInChI=1S/C20H27N3O2/c1-4-16-6-8-17(9-7-16)20-21-18(15(3)25-20)14-19(24)23-12-10-22(5-2)11-13-23/h6-9H,4-5,10-14H2,1-3H3
InChIKeyQLDLFUPXHMVQQN-UHFFFAOYSA-N
XLogP2.92
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 36708636
1-(4-acetylpiperazin-1-yl)-2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]ethanone
CID 110408743
N,N-diethyl-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperazin-1-yl]acetamide
CID 55513764
1-[3-(ethoxymethyl)piperidin-1-yl]-2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethanone
CID 110610382
tert-butyl 4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]acetyl]piperazine-1-carboxylate
CID 110406385
4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperazine-1-carbaldehyde
CID 110371629
2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone
CID 110419597
2-(4-ethylphenyl)-5-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole
CID 163516668
1-(4-methyl-1,4-diazepan-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 78839371
2-(4-methoxyphenyl)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 50762160
1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid
CID 6620480
1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 37314461

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone (CID 110371827) is 2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone is CCc1ccc(-c2nc(CC(=O)N3CCN(CC)CC3)c(C)o2)cc1.
What is the InChIKey of 2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone?
The InChIKey is QLDLFUPXHMVQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-4-16-6-8-17(9-7-16)20-21-18(15(3)25-20)14-19(24)23-12-10-22(5-2)11-13-23/h6-9H,4-5,10-14H2,1-3H3.
What are the key properties of 2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone?
2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone has a molecular weight of 341.46 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 110371827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).