(4-cyclohexylpiperazin-1-yl)-[2-[[4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone

C26H44N6O4 — CID 42856036

IUPAC(4-cyclohexylpiperazin-1-yl)-[2-[[4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
SMILESO=C(c1coc(CN2CCN(CC(O)CN3CCOCC3)CC2)n1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C26H44N6O4/c33-23(19-30-14-16-35-17-15-30)18-28-6-8-29(9-7-28)20-25-27-24(21-36-25)26(34)32-12-10-31(11-13-32)22-4-2-1-3-5-22/h21-23,33H,1-20H2
InChIKeyYITARDLJUSDIPD-UHFFFAOYSA-N
MW504.68 g/mol
LogP0.58
Rot. Bonds8

About (4-cyclohexylpiperazin-1-yl)-[2-[[4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone

(4-cyclohexylpiperazin-1-yl)-[2-[[4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone (PubChem CID 42856036) has the molecular formula C26H44N6O4 and a molecular weight of 504.68 g/mol. Its IUPAC name is (4-cyclohexylpiperazin-1-yl)-[2-[[4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone.

Molecular Properties

Compound Name(4-cyclohexylpiperazin-1-yl)-[2-[[4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
PubChem CID42856036
Molecular FormulaC26H44N6O4
Molecular Weight504.68 g/mol
Exact Mass504.34
IUPAC Name(4-cyclohexylpiperazin-1-yl)-[2-[[4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
SMILESO=C(c1coc(CN2CCN(CC(O)CN3CCOCC3)CC2)n1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C26H44N6O4/c33-23(19-30-14-16-35-17-15-30)18-28-6-8-29(9-7-28)20-25-27-24(21-36-25)26(34)32-12-10-31(11-13-32)22-4-2-1-3-5-22/h21-23,33H,1-20H2
InChIKeyYITARDLJUSDIPD-UHFFFAOYSA-N
XLogP0.58
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.68
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (4-cyclohexylpiperazin-1-yl)-[2-[[4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(4-cyclopentylpiperazin-1-yl)-[2-[[4-[(2R)-2-hydroxy-3-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 92986750
(4-cyclopentylpiperazin-1-yl)-[2-[[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 46051493
(4-cyclohexylpiperazin-1-yl)-[2-[[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 42856031
N-(4-chlorophenyl)-2-[[4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986509
[2-[[4-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 92986697
[2-[[4-[(2R)-2-hydroxyhexyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 92986674
(3R)-N,N-diethyl-1-[2-[[4-[(2S)-2-hydroxypentyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide
CID 92986615
azocan-1-yl-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]methanone
CID 42509334
(4-benzylpiperazin-1-yl)-[2-[[4-[(2S)-2-hydroxy-3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 92986576
[2-[[4-(2-hydroxy-3-phenylmethoxypropyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 42855959
[4-(4-fluorophenyl)piperazin-1-yl]-[2-[[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 46051435
[4-(2-ethylphenyl)piperazin-1-yl]-[2-[[4-[(2S)-2-hydroxypentyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 92986721

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylpiperazin-1-yl)-[2-[[4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone?
The IUPAC name of (4-cyclohexylpiperazin-1-yl)-[2-[[4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone (CID 42856036) is (4-cyclohexylpiperazin-1-yl)-[2-[[4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone.
What is the SMILES notation for (4-cyclohexylpiperazin-1-yl)-[2-[[4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone?
The canonical SMILES for (4-cyclohexylpiperazin-1-yl)-[2-[[4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone is O=C(c1coc(CN2CCN(CC(O)CN3CCOCC3)CC2)n1)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of (4-cyclohexylpiperazin-1-yl)-[2-[[4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone?
The InChIKey is YITARDLJUSDIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44N6O4/c33-23(19-30-14-16-35-17-15-30)18-28-6-8-29(9-7-28)20-25-27-24(21-36-25)26(34)32-12-10-31(11-13-32)22-4-2-1-3-5-22/h21-23,33H,1-20H2.
What are the key properties of (4-cyclohexylpiperazin-1-yl)-[2-[[4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone?
(4-cyclohexylpiperazin-1-yl)-[2-[[4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone has a molecular weight of 504.68 g/mol, XLogP of 0.58, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylpiperazin-1-yl)-[2-[[4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone is sourced from PubChem (CID 42856036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).