2-(4-methyl-1,3-oxazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide

C17H22N4O2 — CID 110679949

IUPAC2-(4-methyl-1,3-oxazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCc1ncoc1CC(=O)Nc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C17H22N4O2/c1-13-16(23-12-18-13)11-17(22)19-14-3-5-15(6-4-14)21-9-7-20(2)8-10-21/h3-6,12H,7-11H2,1-2H3,(H,19,22)
InChIKeyHKGAMGVGMZOBLO-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.92
Rot. Bonds4

About 2-(4-methyl-1,3-oxazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide

2-(4-methyl-1,3-oxazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide (PubChem CID 110679949) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-(4-methyl-1,3-oxazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-1,3-oxazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
PubChem CID110679949
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-(4-methyl-1,3-oxazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCc1ncoc1CC(=O)Nc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C17H22N4O2/c1-13-16(23-12-18-13)11-17(22)19-14-3-5-15(6-4-14)21-9-7-20(2)8-10-21/h3-6,12H,7-11H2,1-2H3,(H,19,22)
InChIKeyHKGAMGVGMZOBLO-UHFFFAOYSA-N
XLogP1.92
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110409810
2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 83768240
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 7744758
N-(3-chloro-4-methylphenyl)-2-(4-methyl-1,3-oxazol-5-yl)acetamide
CID 110679911
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1,3-oxazol-4-yl)propanamide
CID 110679110
2-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 2228389
4-amino-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide
CID 22692234
2-(3-methylbutylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109005861
2-(1H-imidazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 110684204
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(propan-2-ylsulfamoylamino)acetamide
CID 110606284
N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]-2-phenylacetamide
CID 110601100
N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]pentanamide
CID 110601093

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-oxazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(4-methyl-1,3-oxazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide (CID 110679949) is 2-(4-methyl-1,3-oxazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-methyl-1,3-oxazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-methyl-1,3-oxazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide is Cc1ncoc1CC(=O)Nc1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of 2-(4-methyl-1,3-oxazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is HKGAMGVGMZOBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-13-16(23-12-18-13)11-17(22)19-14-3-5-15(6-4-14)21-9-7-20(2)8-10-21/h3-6,12H,7-11H2,1-2H3,(H,19,22).
What are the key properties of 2-(4-methyl-1,3-oxazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
2-(4-methyl-1,3-oxazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 314.39 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-oxazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 110679949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).