N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexanamide

C23H32N4O2 — CID 55529585

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexanamide
SMILESCCCCC(C(=O)Nc1cc(C)on1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C23H32N4O2/c1-3-4-12-21(23(28)24-22-18-19(2)29-25-22)27-16-14-26(15-17-27)13-8-11-20-9-6-5-7-10-20/h5-11,18,21H,3-4,12-17H2,1-2H3,(H,24,25,28)/b11-8+
InChIKeyQLTNAEZTMHGFSL-DHZHZOJOSA-N
MW396.54 g/mol
LogP3.81
Rot. Bonds9

About N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexanamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexanamide (PubChem CID 55529585) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexanamide
PubChem CID55529585
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexanamide
SMILESCCCCC(C(=O)Nc1cc(C)on1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C23H32N4O2/c1-3-4-12-21(23(28)24-22-18-19(2)29-25-22)27-16-14-26(15-17-27)13-8-11-20-9-6-5-7-10-20/h5-11,18,21H,3-4,12-17H2,1-2H3,(H,24,25,28)/b11-8+
InChIKeyQLTNAEZTMHGFSL-DHZHZOJOSA-N
XLogP3.81
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexanamide with MolForge

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Related Compounds

(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)hexanamide
CID 32688103
1-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl]piperidine-4-carboxamide
CID 32687753
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide
CID 111543682
(5-methyl-1,2-oxazol-3-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 1246806
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-(4-propylpiperazin-1-yl)acetamide
CID 30956561
2-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 119043152
N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 9347048
1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]undecan-1-one
CID 6140077
(2S)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide
CID 40792069
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide
CID 17441380
1-hexyl-4-(3-phenylprop-2-enyl)piperazine
CID 71410335
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] (E)-3-phenylprop-2-enoate
CID 46683493

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexanamide (CID 55529585) is N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexanamide is CCCCC(C(=O)Nc1cc(C)on1)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexanamide?
The InChIKey is QLTNAEZTMHGFSL-DHZHZOJOSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-3-4-12-21(23(28)24-22-18-19(2)29-25-22)27-16-14-26(15-17-27)13-8-11-20-9-6-5-7-10-20/h5-11,18,21H,3-4,12-17H2,1-2H3,(H,24,25,28)/b11-8+.
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexanamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexanamide has a molecular weight of 396.54 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexanamide is sourced from PubChem (CID 55529585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).