2-(2-methylprop-1-enyl)-4-piperazin-1-yl-1,3-benzoxazole

C15H19N3O — CID 82346485

IUPAC2-(2-methylprop-1-enyl)-4-piperazin-1-yl-1,3-benzoxazole
SMILESCC(C)=Cc1nc2c(N3CCNCC3)cccc2o1
InChIInChI=1S/C15H19N3O/c1-11(2)10-14-17-15-12(4-3-5-13(15)19-14)18-8-6-16-7-9-18/h3-5,10,16H,6-9H2,1-2H3
InChIKeyFTHASUGHEXTTQU-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.66
Rot. Bonds2

About 2-(2-methylprop-1-enyl)-4-piperazin-1-yl-1,3-benzoxazole

2-(2-methylprop-1-enyl)-4-piperazin-1-yl-1,3-benzoxazole (PubChem CID 82346485) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(2-methylprop-1-enyl)-4-piperazin-1-yl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(2-methylprop-1-enyl)-4-piperazin-1-yl-1,3-benzoxazole
PubChem CID82346485
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-(2-methylprop-1-enyl)-4-piperazin-1-yl-1,3-benzoxazole
SMILESCC(C)=Cc1nc2c(N3CCNCC3)cccc2o1
InChIInChI=1S/C15H19N3O/c1-11(2)10-14-17-15-12(4-3-5-13(15)19-14)18-8-6-16-7-9-18/h3-5,10,16H,6-9H2,1-2H3
InChIKeyFTHASUGHEXTTQU-UHFFFAOYSA-N
XLogP2.66
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)-4-piperazin-1-yl-1,3-benzoxazole
CID 95948401
2-(oxolan-2-yl)-4-piperazin-1-yl-1,3-benzoxazole
CID 82346417
2-methyl-4-piperazin-1-yl-1H-benzimidazole
CID 13180225
1-(2-acetyl-3-piperazin-1-ylphenyl)ethanone
CID 176967580
4-piperazin-1-yl-3-propanoyl-1,3-benzoxazol-2-one
CID 68535030
8-piperazin-1-ylquinoline-3-carboxamide
CID 154407057
1-[2-(3-methylbut-2-enoxy)phenyl]piperazine
CID 114284672
3-methyl-8-piperazin-1-ylchromen-2-one
CID 22355296
N-(2-oxo-8-piperazin-1-ylchromen-3-yl)acetamide;hydrochloride
CID 139662921
1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide
CID 118703673
3-(2-methylpropyl)-4-piperazin-1-yl-1,3-benzoxazol-2-one
CID 82345411
1-methyl-2-phenyl-4-piperazin-1-ylbenzimidazole
CID 175763728

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-1-enyl)-4-piperazin-1-yl-1,3-benzoxazole?
The IUPAC name of 2-(2-methylprop-1-enyl)-4-piperazin-1-yl-1,3-benzoxazole (CID 82346485) is 2-(2-methylprop-1-enyl)-4-piperazin-1-yl-1,3-benzoxazole.
What is the SMILES notation for 2-(2-methylprop-1-enyl)-4-piperazin-1-yl-1,3-benzoxazole?
The canonical SMILES for 2-(2-methylprop-1-enyl)-4-piperazin-1-yl-1,3-benzoxazole is CC(C)=Cc1nc2c(N3CCNCC3)cccc2o1.
What is the InChIKey of 2-(2-methylprop-1-enyl)-4-piperazin-1-yl-1,3-benzoxazole?
The InChIKey is FTHASUGHEXTTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11(2)10-14-17-15-12(4-3-5-13(15)19-14)18-8-6-16-7-9-18/h3-5,10,16H,6-9H2,1-2H3.
What are the key properties of 2-(2-methylprop-1-enyl)-4-piperazin-1-yl-1,3-benzoxazole?
2-(2-methylprop-1-enyl)-4-piperazin-1-yl-1,3-benzoxazole has a molecular weight of 257.34 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-1-enyl)-4-piperazin-1-yl-1,3-benzoxazole is sourced from PubChem (CID 82346485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).