N-cyclohexyl-2-[[4-[(2S)-2-hydroxy-3-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide

C20H34N4O3 — CID 92986253

IUPACN-cyclohexyl-2-[[4-[(2S)-2-hydroxy-3-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
SMILESCC(C)[C@H](O)CN1CCN(Cc2nc(C(=O)NC3CCCCC3)co2)CC1
InChIInChI=1S/C20H34N4O3/c1-15(2)18(25)12-23-8-10-24(11-9-23)13-19-22-17(14-27-19)20(26)21-16-6-4-3-5-7-16/h14-16,18,25H,3-13H2,1-2H3,(H,21,26)/t18-/m1/s1
InChIKeyDKNCFPAZCDEYHU-GOSISDBHSA-N
MW378.52 g/mol
LogP1.87
Rot. Bonds7

About N-cyclohexyl-2-[[4-[(2S)-2-hydroxy-3-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide

N-cyclohexyl-2-[[4-[(2S)-2-hydroxy-3-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 92986253) has the molecular formula C20H34N4O3 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-cyclohexyl-2-[[4-[(2S)-2-hydroxy-3-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[4-[(2S)-2-hydroxy-3-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
PubChem CID92986253
Molecular FormulaC20H34N4O3
Molecular Weight378.52 g/mol
Exact Mass378.26
IUPAC NameN-cyclohexyl-2-[[4-[(2S)-2-hydroxy-3-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
SMILESCC(C)[C@H](O)CN1CCN(Cc2nc(C(=O)NC3CCCCC3)co2)CC1
InChIInChI=1S/C20H34N4O3/c1-15(2)18(25)12-23-8-10-24(11-9-23)13-19-22-17(14-27-19)20(26)21-16-6-4-3-5-7-16/h14-16,18,25H,3-13H2,1-2H3,(H,21,26)/t18-/m1/s1
InChIKeyDKNCFPAZCDEYHU-GOSISDBHSA-N
XLogP1.87
TPSA81.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-cyclohexyl-2-[[4-[(2S)-2-hydroxy-3-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

N-cyclohexyl-2-[[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986264
N-cyclohexyl-2-[[4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986258
(4-cyclopentylpiperazin-1-yl)-[2-[[4-[(2R)-2-hydroxy-3-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 92986750
N-cyclohexyl-2-[[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 46051687
N-(3-chloro-4-fluorophenyl)-2-[[4-[(2R)-2-hydroxy-3-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986472
N-cyclopentyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 29028952
2-[[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide
CID 92986413
2-[[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methyl]-N-[(2S)-2-methylbutyl]-1,3-oxazole-4-carboxamide
CID 92986370
N-(cyclopropylmethyl)-2-[[4-[(2S)-2-hydroxyhexyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986405
N-cyclobutyl-2-[[4-[4-(cyclobutylcarbamoylamino)benzoyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 66661222
N-cyclohexyl-2-[[cyclohexyl(2,2-dimethylpropanoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 42766359
2-[[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methyl]-N-propyl-1,3-oxazole-4-carboxamide
CID 92986274

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[4-[(2S)-2-hydroxy-3-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-cyclohexyl-2-[[4-[(2S)-2-hydroxy-3-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide (CID 92986253) is N-cyclohexyl-2-[[4-[(2S)-2-hydroxy-3-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-[[4-[(2S)-2-hydroxy-3-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-cyclohexyl-2-[[4-[(2S)-2-hydroxy-3-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide is CC(C)[C@H](O)CN1CCN(Cc2nc(C(=O)NC3CCCCC3)co2)CC1.
What is the InChIKey of N-cyclohexyl-2-[[4-[(2S)-2-hydroxy-3-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is DKNCFPAZCDEYHU-GOSISDBHSA-N. The full InChI is InChI=1S/C20H34N4O3/c1-15(2)18(25)12-23-8-10-24(11-9-23)13-19-22-17(14-27-19)20(26)21-16-6-4-3-5-7-16/h14-16,18,25H,3-13H2,1-2H3,(H,21,26)/t18-/m1/s1.
What are the key properties of N-cyclohexyl-2-[[4-[(2S)-2-hydroxy-3-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
N-cyclohexyl-2-[[4-[(2S)-2-hydroxy-3-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[4-[(2S)-2-hydroxy-3-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 92986253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).