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

C23H28N6O2 — CID 69179392

IUPAC2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
SMILESCc1oc(-c2ccccc2)nc1CC(=O)NCC(C)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C23H28N6O2/c1-17(28-11-13-29(14-12-28)23-24-9-6-10-25-23)16-26-21(30)15-20-18(2)31-22(27-20)19-7-4-3-5-8-19/h3-10,17H,11-16H2,1-2H3,(H,26,30)
InChIKeyJHCCZLWBYZDKSI-UHFFFAOYSA-N
MW420.52 g/mol
LogP2.31
Rot. Bonds7

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

2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide (PubChem CID 69179392) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
PubChem CID69179392
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
SMILESCc1oc(-c2ccccc2)nc1CC(=O)NCC(C)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C23H28N6O2/c1-17(28-11-13-29(14-12-28)23-24-9-6-10-25-23)16-26-21(30)15-20-18(2)31-22(27-20)19-7-4-3-5-8-19/h3-10,17H,11-16H2,1-2H3,(H,26,30)
InChIKeyJHCCZLWBYZDKSI-UHFFFAOYSA-N
XLogP2.31
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-(2-piperidin-1-ylpropyl)acetamide
CID 110620548
2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-pyrrolidin-1-ylpropyl)acetamide
CID 110353186
N-(4-hydroxy-2-methylpentyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 111447499
2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide
CID 110620662
2-[2-(1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]-N-(2-pyrrolidin-1-ylpropyl)acetamide
CID 110620524
2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 69180187
N-(3-aminobutyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 119497322
4-[5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzoic acid
CID 20955738
N-[2-(methylamino)-2-oxoethyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 32562086
(2S)-2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
CID 119238230
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 86776642
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-pentylacetamide
CID 46529017

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide?
The IUPAC name of 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide (CID 69179392) is 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide is Cc1oc(-c2ccccc2)nc1CC(=O)NCC(C)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide?
The InChIKey is JHCCZLWBYZDKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-17(28-11-13-29(14-12-28)23-24-9-6-10-25-23)16-26-21(30)15-20-18(2)31-22(27-20)19-7-4-3-5-8-19/h3-10,17H,11-16H2,1-2H3,(H,26,30).
What are the key properties of 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide?
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide has a molecular weight of 420.52 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide is sourced from PubChem (CID 69179392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).