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

C22H28F2N4O2 — CID 46051687

IUPACN-cyclohexyl-2-[[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NC1CCCCC1)c1coc(CN2CCN(Cc3cccc(F)c3F)CC2)n1
InChIInChI=1S/C22H28F2N4O2/c23-18-8-4-5-16(21(18)24)13-27-9-11-28(12-10-27)14-20-26-19(15-30-20)22(29)25-17-6-2-1-3-7-17/h4-5,8,15,17H,1-3,6-7,9-14H2,(H,25,29)
InChIKeyQPPBRYIWASOQBV-UHFFFAOYSA-N
MW418.49 g/mol
LogP3.33
Rot. Bonds6

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

N-cyclohexyl-2-[[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 46051687) has the molecular formula C22H28F2N4O2 and a molecular weight of 418.49 g/mol. Its IUPAC name is N-cyclohexyl-2-[[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
PubChem CID46051687
Molecular FormulaC22H28F2N4O2
Molecular Weight418.49 g/mol
Exact Mass418.22
IUPAC NameN-cyclohexyl-2-[[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NC1CCCCC1)c1coc(CN2CCN(Cc3cccc(F)c3F)CC2)n1
InChIInChI=1S/C22H28F2N4O2/c23-18-8-4-5-16(21(18)24)13-27-9-11-28(12-10-27)14-20-26-19(15-30-20)22(29)25-17-6-2-1-3-7-17/h4-5,8,15,17H,1-3,6-7,9-14H2,(H,25,29)
InChIKeyQPPBRYIWASOQBV-UHFFFAOYSA-N
XLogP3.33
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986253
N-cyclopentyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 29028952
2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-[(3S)-2-oxoazepan-3-yl]-1,3-oxazole-4-carboxamide
CID 25289332
N-cyclohexyl-2-[[4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986258
N-cyclobutyl-2-[[4-[4-(cyclobutylcarbamoylamino)benzoyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 66661222
N-cycloheptyl-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107381
N-propyl-2-[[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 46051708
2-[(4-benzylpiperidin-1-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-1,3-oxazole-4-carboxamide
CID 42850917
2-(2-aminoethyl)-N-cyclobutyl-1,3-oxazole-4-carboxamide
CID 3254419
2-amino-N-cyclohexyl-1,3-oxazole-4-carboxamide
CID 110848950
2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-(2-pyrazol-1-ylethyl)-1,3-oxazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-cyclohexyl-2-[[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide (CID 46051687) is N-cyclohexyl-2-[[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-[[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-cyclohexyl-2-[[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide is O=C(NC1CCCCC1)c1coc(CN2CCN(Cc3cccc(F)c3F)CC2)n1.
What is the InChIKey of N-cyclohexyl-2-[[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is QPPBRYIWASOQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F2N4O2/c23-18-8-4-5-16(21(18)24)13-27-9-11-28(12-10-27)14-20-26-19(15-30-20)22(29)25-17-6-2-1-3-7-17/h4-5,8,15,17H,1-3,6-7,9-14H2,(H,25,29).
What are the key properties of N-cyclohexyl-2-[[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
N-cyclohexyl-2-[[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 418.49 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 46051687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).