2-(2-methylpropyl)-5-piperazin-1-yl-1,3-benzoxazole

C15H21N3O — CID 82232893

IUPAC2-(2-methylpropyl)-5-piperazin-1-yl-1,3-benzoxazole
SMILESCC(C)Cc1nc2cc(N3CCNCC3)ccc2o1
InChIInChI=1S/C15H21N3O/c1-11(2)9-15-17-13-10-12(3-4-14(13)19-15)18-7-5-16-6-8-18/h3-4,10-11,16H,5-9H2,1-2H3
InChIKeyUOBZIJCFAVNHGY-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.44
Rot. Bonds3

About 2-(2-methylpropyl)-5-piperazin-1-yl-1,3-benzoxazole

2-(2-methylpropyl)-5-piperazin-1-yl-1,3-benzoxazole (PubChem CID 82232893) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(2-methylpropyl)-5-piperazin-1-yl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(2-methylpropyl)-5-piperazin-1-yl-1,3-benzoxazole
PubChem CID82232893
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-(2-methylpropyl)-5-piperazin-1-yl-1,3-benzoxazole
SMILESCC(C)Cc1nc2cc(N3CCNCC3)ccc2o1
InChIInChI=1S/C15H21N3O/c1-11(2)9-15-17-13-10-12(3-4-14(13)19-15)18-7-5-16-6-8-18/h3-4,10-11,16H,5-9H2,1-2H3
InChIKeyUOBZIJCFAVNHGY-UHFFFAOYSA-N
XLogP2.44
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-butan-2-yl-5-piperazin-1-yl-1,3-benzoxazole
CID 82232894
1-[2-(2-methylpropyl)-1,3-benzoxazol-5-yl]piperidine-4-carboxylic acid
CID 117099425
2-butyl-5-pyrrolidin-1-yl-1,3-benzoxazole
CID 168514211
1-(2-methyl-1-benzofuran-6-yl)piperazine
CID 82614048
1-[2-(2-methylpropyl)-1,3-benzoxazol-5-yl]ethanone
CID 82285127
2-methyl-1-[2-(2-methylpropyl)-1,3-benzoxazol-5-yl]propan-1-one
CID 82294744
5-piperazin-1-yl-1,2-benzoxazole
CID 82608582
2-[(4-methylpiperazin-1-yl)methyl]-5-(piperazin-1-ylmethyl)-1,3-benzoxazole
CID 83949516
1-(2-ethyl-1-benzofuran-6-yl)piperazine
CID 84726276
2-methyl-6-piperazin-1-ylquinoxaline
CID 117275288
5,6-dimethoxy-2-(2-methylpropyl)-1,3-benzoxazole
CID 82231715
ethane;5-piperazin-1-yl-1-benzofuran-2-carboxamide
CID 144805378

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-5-piperazin-1-yl-1,3-benzoxazole?
The IUPAC name of 2-(2-methylpropyl)-5-piperazin-1-yl-1,3-benzoxazole (CID 82232893) is 2-(2-methylpropyl)-5-piperazin-1-yl-1,3-benzoxazole.
What is the SMILES notation for 2-(2-methylpropyl)-5-piperazin-1-yl-1,3-benzoxazole?
The canonical SMILES for 2-(2-methylpropyl)-5-piperazin-1-yl-1,3-benzoxazole is CC(C)Cc1nc2cc(N3CCNCC3)ccc2o1.
What is the InChIKey of 2-(2-methylpropyl)-5-piperazin-1-yl-1,3-benzoxazole?
The InChIKey is UOBZIJCFAVNHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(2)9-15-17-13-10-12(3-4-14(13)19-15)18-7-5-16-6-8-18/h3-4,10-11,16H,5-9H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-5-piperazin-1-yl-1,3-benzoxazole?
2-(2-methylpropyl)-5-piperazin-1-yl-1,3-benzoxazole has a molecular weight of 259.35 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-5-piperazin-1-yl-1,3-benzoxazole is sourced from PubChem (CID 82232893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).