5-[[1-(2-methoxyphenyl)piperazin-2-yl]methyl]-2,3-dihydro-1,2-oxazole

C15H21N3O2 — CID 67628930

IUPAC5-[[1-(2-methoxyphenyl)piperazin-2-yl]methyl]-2,3-dihydro-1,2-oxazole
SMILESCOc1ccccc1N1CCNCC1CC1=CCNO1
InChIInChI=1S/C15H21N3O2/c1-19-15-5-3-2-4-14(15)18-9-8-16-11-12(18)10-13-6-7-17-20-13/h2-6,12,16-17H,7-11H2,1H3
InChIKeyWTJQEKBOGPOXAH-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.28
Rot. Bonds4

About 5-[[1-(2-methoxyphenyl)piperazin-2-yl]methyl]-2,3-dihydro-1,2-oxazole

5-[[1-(2-methoxyphenyl)piperazin-2-yl]methyl]-2,3-dihydro-1,2-oxazole (PubChem CID 67628930) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 5-[[1-(2-methoxyphenyl)piperazin-2-yl]methyl]-2,3-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-[[1-(2-methoxyphenyl)piperazin-2-yl]methyl]-2,3-dihydro-1,2-oxazole
PubChem CID67628930
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name5-[[1-(2-methoxyphenyl)piperazin-2-yl]methyl]-2,3-dihydro-1,2-oxazole
SMILESCOc1ccccc1N1CCNCC1CC1=CCNO1
InChIInChI=1S/C15H21N3O2/c1-19-15-5-3-2-4-14(15)18-9-8-16-11-12(18)10-13-6-7-17-20-13/h2-6,12,16-17H,7-11H2,1H3
InChIKeyWTJQEKBOGPOXAH-UHFFFAOYSA-N
XLogP1.28
TPSA45.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyphenyl)-2-propan-2-ylpiperazine
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1-(2,5-dimethoxyphenyl)-2-methylpiperazine
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ethane;1-(2-methoxy-4-methylphenyl)-2-methylpiperazine
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2-[1-(2-methoxyphenyl)piperidin-2-yl]ethanamine
CID 82389615
methyl 2-(2-butylpiperazin-1-yl)benzoate
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2-[(2S)-1-[(2-methoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 95169826
2-(2-pentylpiperazin-1-yl)aniline
CID 70084517
methyl 2-[(2R)-2-methylpiperazin-1-yl]benzoate
CID 45072841
1-phenyl-2-propylpiperazine
CID 70549920
acetaldehyde;1-(2-methoxyphenyl)piperazine
CID 157082158
(2R)-1-[(2-methoxyphenyl)methyl]-2-methylpiperazine
CID 82755826

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2-methoxyphenyl)piperazin-2-yl]methyl]-2,3-dihydro-1,2-oxazole?
The IUPAC name of 5-[[1-(2-methoxyphenyl)piperazin-2-yl]methyl]-2,3-dihydro-1,2-oxazole (CID 67628930) is 5-[[1-(2-methoxyphenyl)piperazin-2-yl]methyl]-2,3-dihydro-1,2-oxazole.
What is the SMILES notation for 5-[[1-(2-methoxyphenyl)piperazin-2-yl]methyl]-2,3-dihydro-1,2-oxazole?
The canonical SMILES for 5-[[1-(2-methoxyphenyl)piperazin-2-yl]methyl]-2,3-dihydro-1,2-oxazole is COc1ccccc1N1CCNCC1CC1=CCNO1.
What is the InChIKey of 5-[[1-(2-methoxyphenyl)piperazin-2-yl]methyl]-2,3-dihydro-1,2-oxazole?
The InChIKey is WTJQEKBOGPOXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-19-15-5-3-2-4-14(15)18-9-8-16-11-12(18)10-13-6-7-17-20-13/h2-6,12,16-17H,7-11H2,1H3.
What are the key properties of 5-[[1-(2-methoxyphenyl)piperazin-2-yl]methyl]-2,3-dihydro-1,2-oxazole?
5-[[1-(2-methoxyphenyl)piperazin-2-yl]methyl]-2,3-dihydro-1,2-oxazole has a molecular weight of 275.35 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-methoxyphenyl)piperazin-2-yl]methyl]-2,3-dihydro-1,2-oxazole is sourced from PubChem (CID 67628930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).