3-[(5-ethyl-2-phenylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole

C17H23N3O — CID 64946738

IUPAC3-[(5-ethyl-2-phenylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole
SMILESCCC1CN(Cc2cc(C)on2)C(c2ccccc2)CN1
InChIInChI=1S/C17H23N3O/c1-3-15-11-20(12-16-9-13(2)21-19-16)17(10-18-15)14-7-5-4-6-8-14/h4-9,15,17-18H,3,10-12H2,1-2H3
InChIKeyBOKHLYAIGPYDAZ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.91
Rot. Bonds4

About 3-[(5-ethyl-2-phenylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole

3-[(5-ethyl-2-phenylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole (PubChem CID 64946738) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[(5-ethyl-2-phenylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[(5-ethyl-2-phenylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole
PubChem CID64946738
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-[(5-ethyl-2-phenylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole
SMILESCCC1CN(Cc2cc(C)on2)C(c2ccccc2)CN1
InChIInChI=1S/C17H23N3O/c1-3-15-11-20(12-16-9-13(2)21-19-16)17(10-18-15)14-7-5-4-6-8-14/h4-9,15,17-18H,3,10-12H2,1-2H3
InChIKeyBOKHLYAIGPYDAZ-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-ethyl-2-phenylpiperazin-1-yl)methyl]-5-methyl-1,2,4-oxadiazole
CID 106408467
1-benzyl-5-ethyl-2-phenylpiperazine
CID 64841572
5-ethyl-2-phenyl-1-(pyridin-4-ylmethyl)piperazine
CID 64841963
3-[[2-ethyl-5-(2-methylpropyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 64946354
1-(cyclobutylmethyl)-5-ethyl-2-phenylpiperazine
CID 64935193
5-ethyl-1-(4-methylpentyl)-2-phenylpiperazine
CID 64940985
5-ethyl-1-hex-5-ynyl-2-phenylpiperazine
CID 106211749
1-[(3S)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpiperazin-1-yl]ethanone
CID 125014450
5-methyl-3-[(4-methyl-3-phenylpiperazin-1-yl)methyl]-1,2-oxazole
CID 110098343
3-[(2-ethyl-5-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole
CID 64938538
5-ethyl-2-phenyl-1-propan-2-ylpiperazine
CID 64843317
(3S,5R)-5-(3-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol
CID 129480762

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-2-phenylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[(5-ethyl-2-phenylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole (CID 64946738) is 3-[(5-ethyl-2-phenylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[(5-ethyl-2-phenylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[(5-ethyl-2-phenylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole is CCC1CN(Cc2cc(C)on2)C(c2ccccc2)CN1.
What is the InChIKey of 3-[(5-ethyl-2-phenylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole?
The InChIKey is BOKHLYAIGPYDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-15-11-20(12-16-9-13(2)21-19-16)17(10-18-15)14-7-5-4-6-8-14/h4-9,15,17-18H,3,10-12H2,1-2H3.
What are the key properties of 3-[(5-ethyl-2-phenylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole?
3-[(5-ethyl-2-phenylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole has a molecular weight of 285.39 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-2-phenylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 64946738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).