1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine-2-carbonitrile

C15H16N4O — CID 79085040

IUPAC1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine-2-carbonitrile
SMILESN#CC1CNCCN1Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C15H16N4O/c16-9-14-10-17-6-7-19(14)11-13-8-15(20-18-13)12-4-2-1-3-5-12/h1-5,8,14,17H,6-7,10-11H2
InChIKeyYJZIGLQLHUCPDL-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.64
Rot. Bonds3

About 1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine-2-carbonitrile

1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine-2-carbonitrile (PubChem CID 79085040) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine-2-carbonitrile.

Molecular Properties

Compound Name1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine-2-carbonitrile
PubChem CID79085040
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine-2-carbonitrile
SMILESN#CC1CNCCN1Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C15H16N4O/c16-9-14-10-17-6-7-19(14)11-13-8-15(20-18-13)12-4-2-1-3-5-12/h1-5,8,14,17H,6-7,10-11H2
InChIKeyYJZIGLQLHUCPDL-UHFFFAOYSA-N
XLogP1.64
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole;hydrochloride
CID 120967347
1-[(1-methylpyrazol-3-yl)methyl]piperazine-2-carbonitrile
CID 82868583
1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2-carbonitrile
CID 79085339
1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2-carbonitrile
CID 79085444
1-(3-phenoxypropyl)piperazine-2-carbonitrile
CID 79085976
1-(pyrimidin-2-ylmethyl)piperazine-2-carbonitrile
CID 79086103
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-2-carbonitrile
CID 79094644
3-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]-5-phenyl-1,2-oxazole
CID 120966966
1-(1,3-benzoxazol-2-ylmethyl)piperazine-2-carbonitrile
CID 79085147
1-[(3-bromophenyl)methyl]piperazine-2-carbonitrile
CID 79085002
1-[(4-chlorophenyl)methyl]piperazine-2-carbonitrile
CID 79085643
4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazin-2-one
CID 8548455

Frequently Asked Questions

What is the IUPAC name of 1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine-2-carbonitrile?
The IUPAC name of 1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine-2-carbonitrile (CID 79085040) is 1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine-2-carbonitrile.
What is the SMILES notation for 1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine-2-carbonitrile?
The canonical SMILES for 1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine-2-carbonitrile is N#CC1CNCCN1Cc1cc(-c2ccccc2)on1.
What is the InChIKey of 1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine-2-carbonitrile?
The InChIKey is YJZIGLQLHUCPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c16-9-14-10-17-6-7-19(14)11-13-8-15(20-18-13)12-4-2-1-3-5-12/h1-5,8,14,17H,6-7,10-11H2.
What are the key properties of 1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine-2-carbonitrile?
1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine-2-carbonitrile has a molecular weight of 268.32 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine-2-carbonitrile is sourced from PubChem (CID 79085040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).