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

C14H18N6O2 — CID 109004974

IUPAC2-[(5-methyl-1,2-oxazol-3-yl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESCc1cc(NCC(=O)N2CCN(c3ncccn3)CC2)no1
InChIInChI=1S/C14H18N6O2/c1-11-9-12(18-22-11)17-10-13(21)19-5-7-20(8-6-19)14-15-3-2-4-16-14/h2-4,9H,5-8,10H2,1H3,(H,17,18)
InChIKeySTTVYJTZFJBUGO-UHFFFAOYSA-N
MW302.34 g/mol
LogP0.53
Rot. Bonds4

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

2-[(5-methyl-1,2-oxazol-3-yl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 109004974) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-[(5-methyl-1,2-oxazol-3-yl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(5-methyl-1,2-oxazol-3-yl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
PubChem CID109004974
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name2-[(5-methyl-1,2-oxazol-3-yl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESCc1cc(NCC(=O)N2CCN(c3ncccn3)CC2)no1
InChIInChI=1S/C14H18N6O2/c1-11-9-12(18-22-11)17-10-13(21)19-5-7-20(8-6-19)14-15-3-2-4-16-14/h2-4,9H,5-8,10H2,1H3,(H,17,18)
InChIKeySTTVYJTZFJBUGO-UHFFFAOYSA-N
XLogP0.53
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(5-methyl-1,2-oxazol-3-yl)amino]-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-[(5-methyl-1,2-oxazol-3-yl)amino]-1-piperidin-1-ylethanone
CID 108993555
2-[(5-methyl-1,2-oxazol-3-yl)amino]-1-morpholin-4-ylethanone
CID 108994230
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone
CID 109004303
2-(4-methylanilino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 4803568
2-(3,4-dimethylanilino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 109004883
1-(4-benzylpiperazin-1-yl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone
CID 109002094
2-(3,5-dichloroanilino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 109004960
[5-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109238714
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)hexanamide
CID 47019529
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)hexanamide
CID 32688103
2-(propylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 60671666
2-(cyclopropylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 60671657

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 109004974) is 2-[(5-methyl-1,2-oxazol-3-yl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[(5-methyl-1,2-oxazol-3-yl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[(5-methyl-1,2-oxazol-3-yl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is Cc1cc(NCC(=O)N2CCN(c3ncccn3)CC2)no1.
What is the InChIKey of 2-[(5-methyl-1,2-oxazol-3-yl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is STTVYJTZFJBUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-11-9-12(18-22-11)17-10-13(21)19-5-7-20(8-6-19)14-15-3-2-4-16-14/h2-4,9H,5-8,10H2,1H3,(H,17,18).
What are the key properties of 2-[(5-methyl-1,2-oxazol-3-yl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
2-[(5-methyl-1,2-oxazol-3-yl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 302.34 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2-oxazol-3-yl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 109004974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).