2-(1,3-benzoxazol-5-yl)-1-piperazin-1-ylethanone

C13H15N3O2 — CID 82497853

IUPAC2-(1,3-benzoxazol-5-yl)-1-piperazin-1-ylethanone
SMILESO=C(Cc1ccc2ocnc2c1)N1CCNCC1
InChIInChI=1S/C13H15N3O2/c17-13(16-5-3-14-4-6-16)8-10-1-2-12-11(7-10)15-9-18-12/h1-2,7,9,14H,3-6,8H2
InChIKeyXMRXTBHMDXOEEX-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.80
Rot. Bonds2

About 2-(1,3-benzoxazol-5-yl)-1-piperazin-1-ylethanone

2-(1,3-benzoxazol-5-yl)-1-piperazin-1-ylethanone (PubChem CID 82497853) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-5-yl)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(1,3-benzoxazol-5-yl)-1-piperazin-1-ylethanone
PubChem CID82497853
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-(1,3-benzoxazol-5-yl)-1-piperazin-1-ylethanone
SMILESO=C(Cc1ccc2ocnc2c1)N1CCNCC1
InChIInChI=1S/C13H15N3O2/c17-13(16-5-3-14-4-6-16)8-10-1-2-12-11(7-10)15-9-18-12/h1-2,7,9,14H,3-6,8H2
InChIKeyXMRXTBHMDXOEEX-UHFFFAOYSA-N
XLogP0.80
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzoxazol-6-yl)-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethanone
CID 110801713
2-(1,3-benzoxazol-5-yl)-N-cyclopentylacetamide
CID 162432742
1-piperazin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82132544
2-(2,3-dihydro-1H-isoindol-5-yl)-1-piperazin-1-ylethanone
CID 115104675
2-(1,3-benzoxazol-6-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 110771800
4-[2-(1,3-benzoxazol-6-yl)acetyl]-N-cyclohexylpiperazine-1-carboxamide
CID 110813129
2-(1,3-benzoxazol-6-yl)-1-[4-(2-methylbenzoyl)piperazin-1-yl]ethanone
CID 110802161
2-(4-chloro-3-methylphenyl)-1-piperazin-1-ylethanone
CID 82511840
2-(1,3-benzoxazol-6-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 110771798
2-(3,4-dichlorophenyl)-1-morpholin-4-ylethanone
CID 1485657
2-(3-iodophenyl)-1-piperazin-1-ylethanone
CID 119400955
1-(1,4-diazepan-1-yl)-2-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 96669750

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-5-yl)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(1,3-benzoxazol-5-yl)-1-piperazin-1-ylethanone (CID 82497853) is 2-(1,3-benzoxazol-5-yl)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(1,3-benzoxazol-5-yl)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(1,3-benzoxazol-5-yl)-1-piperazin-1-ylethanone is O=C(Cc1ccc2ocnc2c1)N1CCNCC1.
What is the InChIKey of 2-(1,3-benzoxazol-5-yl)-1-piperazin-1-ylethanone?
The InChIKey is XMRXTBHMDXOEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-13(16-5-3-14-4-6-16)8-10-1-2-12-11(7-10)15-9-18-12/h1-2,7,9,14H,3-6,8H2.
What are the key properties of 2-(1,3-benzoxazol-5-yl)-1-piperazin-1-ylethanone?
2-(1,3-benzoxazol-5-yl)-1-piperazin-1-ylethanone has a molecular weight of 245.28 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-5-yl)-1-piperazin-1-ylethanone is sourced from PubChem (CID 82497853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).