2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

C20H20FN5O2 — CID 110355851

IUPAC2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESCc1oc(-c2ccccc2F)nc1CC(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H20FN5O2/c1-14-17(24-19(28-14)15-5-2-3-6-16(15)21)13-18(27)25-9-11-26(12-10-25)20-22-7-4-8-23-20/h2-8H,9-13H2,1H3
InChIKeyPUJSGNYWRIDTSJ-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.47
Rot. Bonds4

About 2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 110355851) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
PubChem CID110355851
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESCc1oc(-c2ccccc2F)nc1CC(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H20FN5O2/c1-14-17(24-19(28-14)15-5-2-3-6-16(15)21)13-18(27)25-9-11-26(12-10-25)20-22-7-4-8-23-20/h2-8H,9-13H2,1H3
InChIKeyPUJSGNYWRIDTSJ-UHFFFAOYSA-N
XLogP2.47
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 110355852
2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]ethanone
CID 110354437
1-(4-acetylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 36708636
N-[2-[[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]ethyl]benzamide
CID 110354604
4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperazine-1-carbaldehyde
CID 110371629
2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 110425935
2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 110371744
3-[(2-fluorophenyl)methyl-methylamino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 55568353
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-1-one
CID 110407680
1-(4-methyl-1,4-diazepan-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 78839371
N-cyclopentyl-2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide
CID 20860266
1-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 56820365

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 110355851) is 2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is Cc1oc(-c2ccccc2F)nc1CC(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is PUJSGNYWRIDTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c1-14-17(24-19(28-14)15-5-2-3-6-16(15)21)13-18(27)25-9-11-26(12-10-25)20-22-7-4-8-23-20/h2-8H,9-13H2,1H3.
What are the key properties of 2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 381.41 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 110355851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).