1-[4-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-6-phenylpyrimidin-2-yl]piperazin-1-yl]ethanone

C20H22N6O2 — CID 112936718

IUPAC1-[4-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-6-phenylpyrimidin-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(Nc3cc(C)on3)cc(-c3ccccc3)n2)CC1
InChIInChI=1S/C20H22N6O2/c1-14-12-19(24-28-14)22-18-13-17(16-6-4-3-5-7-16)21-20(23-18)26-10-8-25(9-11-26)15(2)27/h3-7,12-13H,8-11H2,1-2H3,(H,21,22,23,24)
InChIKeyQOICATOYJPNOFA-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.85
Rot. Bonds4

About 1-[4-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-6-phenylpyrimidin-2-yl]piperazin-1-yl]ethanone

1-[4-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-6-phenylpyrimidin-2-yl]piperazin-1-yl]ethanone (PubChem CID 112936718) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 1-[4-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-6-phenylpyrimidin-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-6-phenylpyrimidin-2-yl]piperazin-1-yl]ethanone
PubChem CID112936718
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name1-[4-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-6-phenylpyrimidin-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(Nc3cc(C)on3)cc(-c3ccccc3)n2)CC1
InChIInChI=1S/C20H22N6O2/c1-14-12-19(24-28-14)22-18-13-17(16-6-4-3-5-7-16)21-20(23-18)26-10-8-25(9-11-26)15(2)27/h3-7,12-13H,8-11H2,1-2H3,(H,21,22,23,24)
InChIKeyQOICATOYJPNOFA-UHFFFAOYSA-N
XLogP2.85
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-6-phenylpyrimidin-2-yl]piperazin-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

1-[4-(4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]ethanone
CID 112934085
N-(2-methylphenyl)-2-morpholin-4-yl-6-phenylpyrimidin-4-amine
CID 112935530
4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[(2-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 112936923
[6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 112852983
furan-2-yl-[4-[4-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methanone
CID 112898734
2-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine
CID 112938159
[4-[4-(cyclopropylamino)-6-phenylpyrimidin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112932981
N-cyclopropyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112932936
N-methyl-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 62192650
1-[4-[4-methyl-6-(2-phenylethylamino)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112914983
4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
CID 112933893
1-[4-[4-methyl-6-(3-methylanilino)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112915025

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-6-phenylpyrimidin-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-6-phenylpyrimidin-2-yl]piperazin-1-yl]ethanone (CID 112936718) is 1-[4-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-6-phenylpyrimidin-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-6-phenylpyrimidin-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-6-phenylpyrimidin-2-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2nc(Nc3cc(C)on3)cc(-c3ccccc3)n2)CC1.
What is the InChIKey of 1-[4-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-6-phenylpyrimidin-2-yl]piperazin-1-yl]ethanone?
The InChIKey is QOICATOYJPNOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-14-12-19(24-28-14)22-18-13-17(16-6-4-3-5-7-16)21-20(23-18)26-10-8-25(9-11-26)15(2)27/h3-7,12-13H,8-11H2,1-2H3,(H,21,22,23,24).
What are the key properties of 1-[4-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-6-phenylpyrimidin-2-yl]piperazin-1-yl]ethanone?
1-[4-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-6-phenylpyrimidin-2-yl]piperazin-1-yl]ethanone has a molecular weight of 378.44 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-6-phenylpyrimidin-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 112936718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).