(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)hexanamide

C18H26N6O2 — CID 32688103

IUPAC(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)hexanamide
SMILESCCCC[C@H](C(=O)Nc1cc(C)on1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H26N6O2/c1-3-4-6-15(17(25)21-16-13-14(2)26-22-16)23-9-11-24(12-10-23)18-19-7-5-8-20-18/h5,7-8,13,15H,3-4,6,9-12H2,1-2H3,(H,21,22,25)/t15-/m1/s1
InChIKeyJQWPINYJOFFUHU-OAHLLOKOSA-N
MW358.45 g/mol
LogP2.09
Rot. Bonds7

About (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)hexanamide

(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)hexanamide (PubChem CID 32688103) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)hexanamide.

Molecular Properties

Compound Name(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)hexanamide
PubChem CID32688103
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)hexanamide
SMILESCCCC[C@H](C(=O)Nc1cc(C)on1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H26N6O2/c1-3-4-6-15(17(25)21-16-13-14(2)26-22-16)23-9-11-24(12-10-23)18-19-7-5-8-20-18/h5,7-8,13,15H,3-4,6,9-12H2,1-2H3,(H,21,22,25)/t15-/m1/s1
InChIKeyJQWPINYJOFFUHU-OAHLLOKOSA-N
XLogP2.09
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)hexanamide with MolForge

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)hexanamide
CID 47019529
1-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl]piperidine-4-carboxamide
CID 32687753
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexanamide
CID 55529585
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide
CID 111543682
N-(2-hydroxyphenyl)-1-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl]piperidine-4-carboxamide
CID 32741538
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]hexanamide
CID 86773310
2-[(5-methyl-1,2-oxazol-3-yl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 109004974
(2S)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 95288126
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]butanamide
CID 47079050
ethyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoate
CID 78964151
N-(5-methyl-1,2-oxazol-3-yl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)hexanamide
CID 42932563
(2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)pentanamide
CID 670809

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)hexanamide?
The IUPAC name of (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)hexanamide (CID 32688103) is (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)hexanamide.
What is the SMILES notation for (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)hexanamide?
The canonical SMILES for (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)hexanamide is CCCC[C@H](C(=O)Nc1cc(C)on1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)hexanamide?
The InChIKey is JQWPINYJOFFUHU-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-3-4-6-15(17(25)21-16-13-14(2)26-22-16)23-9-11-24(12-10-23)18-19-7-5-8-20-18/h5,7-8,13,15H,3-4,6,9-12H2,1-2H3,(H,21,22,25)/t15-/m1/s1.
What are the key properties of (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)hexanamide?
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)hexanamide has a molecular weight of 358.45 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)hexanamide is sourced from PubChem (CID 32688103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).