3-[(5-phenyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole

C17H23N3O — CID 81178594

IUPAC3-[(5-phenyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole
SMILESCC(C)C1CNC(c2ccccc2)CN1Cc1ccon1
InChIInChI=1S/C17H23N3O/c1-13(2)17-10-18-16(14-6-4-3-5-7-14)12-20(17)11-15-8-9-21-19-15/h3-9,13,16-18H,10-12H2,1-2H3
InChIKeyLFWWOJBHLYMWGF-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.85
Rot. Bonds4

About 3-[(5-phenyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole

3-[(5-phenyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole (PubChem CID 81178594) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[(5-phenyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[(5-phenyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole
PubChem CID81178594
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-[(5-phenyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole
SMILESCC(C)C1CNC(c2ccccc2)CN1Cc1ccon1
InChIInChI=1S/C17H23N3O/c1-13(2)17-10-18-16(14-6-4-3-5-7-14)12-20(17)11-15-8-9-21-19-15/h3-9,13,16-18H,10-12H2,1-2H3
InChIKeyLFWWOJBHLYMWGF-UHFFFAOYSA-N
XLogP2.85
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-ylmethyl)-5-phenyl-2-propan-2-ylpiperazine
CID 64930221
5-phenyl-2-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine
CID 64876116
1-(2-methylpentyl)-5-phenyl-2-propan-2-ylpiperazine
CID 64878230
3-[(2-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole
CID 81174141
1-(3-methoxypropyl)-5-phenyl-2-propan-2-ylpiperazine
CID 64877844
1-benzyl-2-butan-2-yl-5-phenylpiperazine
CID 64877463
3-[(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,2-oxazole
CID 81174386
N,N-dimethyl-5-phenyl-2-propan-2-ylpiperazine-1-carboxamide
CID 82248277
3-[(3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,2-oxazole
CID 81173573
2-methyl-1-(3-methyl-2-propan-2-ylbutyl)-5-phenylpiperazine
CID 102908543
2-methyl-1-(2-methylpentyl)-5-phenylpiperazine
CID 64875917
(2S,5S)-1-benzyl-5-methyl-2-propan-2-ylpiperazine
CID 46705371

Frequently Asked Questions

What is the IUPAC name of 3-[(5-phenyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole?
The IUPAC name of 3-[(5-phenyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole (CID 81178594) is 3-[(5-phenyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 3-[(5-phenyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole?
The canonical SMILES for 3-[(5-phenyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole is CC(C)C1CNC(c2ccccc2)CN1Cc1ccon1.
What is the InChIKey of 3-[(5-phenyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole?
The InChIKey is LFWWOJBHLYMWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13(2)17-10-18-16(14-6-4-3-5-7-14)12-20(17)11-15-8-9-21-19-15/h3-9,13,16-18H,10-12H2,1-2H3.
What are the key properties of 3-[(5-phenyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole?
3-[(5-phenyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole has a molecular weight of 285.39 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-phenyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 81178594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).