2-butan-2-yl-5-piperazin-1-yl-1,3-benzoxazole

C15H21N3O — CID 82232894

IUPAC2-butan-2-yl-5-piperazin-1-yl-1,3-benzoxazole
SMILESCCC(C)c1nc2cc(N3CCNCC3)ccc2o1
InChIInChI=1S/C15H21N3O/c1-3-11(2)15-17-13-10-12(4-5-14(13)19-15)18-8-6-16-7-9-18/h4-5,10-11,16H,3,6-9H2,1-2H3
InChIKeyHFNZADZFQMWOPF-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.75
Rot. Bonds3

About 2-butan-2-yl-5-piperazin-1-yl-1,3-benzoxazole

2-butan-2-yl-5-piperazin-1-yl-1,3-benzoxazole (PubChem CID 82232894) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-butan-2-yl-5-piperazin-1-yl-1,3-benzoxazole.

Molecular Properties

Compound Name2-butan-2-yl-5-piperazin-1-yl-1,3-benzoxazole
PubChem CID82232894
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-butan-2-yl-5-piperazin-1-yl-1,3-benzoxazole
SMILESCCC(C)c1nc2cc(N3CCNCC3)ccc2o1
InChIInChI=1S/C15H21N3O/c1-3-11(2)15-17-13-10-12(4-5-14(13)19-15)18-8-6-16-7-9-18/h4-5,10-11,16H,3,6-9H2,1-2H3
InChIKeyHFNZADZFQMWOPF-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylpropyl)-5-piperazin-1-yl-1,3-benzoxazole
CID 82232893
5-fluoro-2-(1-piperazin-1-ylethyl)-1,3-benzoxazole
CID 64793788
1-(2-propan-2-yl-1,3-benzoxazol-5-yl)piperidine-4-carboxylic acid
CID 117099421
1-(2-ethyl-1-benzofuran-6-yl)piperazine
CID 84726276
1-ethyl-5-piperazin-1-ylbenzotriazole
CID 84726445
2-butyl-5-pyrrolidin-1-yl-1,3-benzoxazole
CID 168514211
6-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-benzothiazole;5-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-benzoxazole;6-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzothiazole;5-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzoxazole;6-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzoxazole;6-piperazin-1-yl-2-propan-2-yl-1,3-benzothiazole;5-piperazin-1-yl-2-propan-2-yl-1,3-benzoxazole;6-piperidin-4-yl-2-propan-2-yl-1,3-benzothiazole;5-piperidin-4-yl-2-propan-2-yl-1,3-benzoxazole;6-piperidin-4-yl-2-propan-2-yl-1,3-benzoxazole
CID 167696722
1-(2-methyl-1-benzofuran-6-yl)piperazine
CID 82614048
5-piperazin-1-yl-1,2-benzoxazole
CID 82608582
2-methyl-5-(1-piperazin-1-ylpropyl)-1,3-benzoxazole
CID 82500379
2-methyl-6-piperazin-1-ylquinoxaline
CID 117275288
3-ethyl-6-piperazin-1-yl-2H-indazole
CID 59781257

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-piperazin-1-yl-1,3-benzoxazole?
The IUPAC name of 2-butan-2-yl-5-piperazin-1-yl-1,3-benzoxazole (CID 82232894) is 2-butan-2-yl-5-piperazin-1-yl-1,3-benzoxazole.
What is the SMILES notation for 2-butan-2-yl-5-piperazin-1-yl-1,3-benzoxazole?
The canonical SMILES for 2-butan-2-yl-5-piperazin-1-yl-1,3-benzoxazole is CCC(C)c1nc2cc(N3CCNCC3)ccc2o1.
What is the InChIKey of 2-butan-2-yl-5-piperazin-1-yl-1,3-benzoxazole?
The InChIKey is HFNZADZFQMWOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-11(2)15-17-13-10-12(4-5-14(13)19-15)18-8-6-16-7-9-18/h4-5,10-11,16H,3,6-9H2,1-2H3.
What are the key properties of 2-butan-2-yl-5-piperazin-1-yl-1,3-benzoxazole?
2-butan-2-yl-5-piperazin-1-yl-1,3-benzoxazole has a molecular weight of 259.35 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5-piperazin-1-yl-1,3-benzoxazole is sourced from PubChem (CID 82232894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).