7-piperazin-1-yl-3H-1,3-benzoxazol-2-one

C11H13N3O2 — CID 20644640

IUPAC7-piperazin-1-yl-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cccc(N3CCNCC3)c2o1
InChIInChI=1S/C11H13N3O2/c15-11-13-8-2-1-3-9(10(8)16-11)14-6-4-12-5-7-14/h1-3,12H,4-7H2,(H,13,15)
InChIKeyBJJMRBXZMKJLQK-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.53
Rot. Bonds1

About 7-piperazin-1-yl-3H-1,3-benzoxazol-2-one

7-piperazin-1-yl-3H-1,3-benzoxazol-2-one (PubChem CID 20644640) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 7-piperazin-1-yl-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name7-piperazin-1-yl-3H-1,3-benzoxazol-2-one
PubChem CID20644640
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name7-piperazin-1-yl-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cccc(N3CCNCC3)c2o1
InChIInChI=1S/C11H13N3O2/c15-11-13-8-2-1-3-9(10(8)16-11)14-6-4-12-5-7-14/h1-3,12H,4-7H2,(H,13,15)
InChIKeyBJJMRBXZMKJLQK-UHFFFAOYSA-N
XLogP0.53
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-piperazin-1-yl-3H-1,3-benzoxazol-2-one?
The IUPAC name of 7-piperazin-1-yl-3H-1,3-benzoxazol-2-one (CID 20644640) is 7-piperazin-1-yl-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 7-piperazin-1-yl-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 7-piperazin-1-yl-3H-1,3-benzoxazol-2-one is O=c1[nH]c2cccc(N3CCNCC3)c2o1.
What is the InChIKey of 7-piperazin-1-yl-3H-1,3-benzoxazol-2-one?
The InChIKey is BJJMRBXZMKJLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c15-11-13-8-2-1-3-9(10(8)16-11)14-6-4-12-5-7-14/h1-3,12H,4-7H2,(H,13,15).
What are the key properties of 7-piperazin-1-yl-3H-1,3-benzoxazol-2-one?
7-piperazin-1-yl-3H-1,3-benzoxazol-2-one has a molecular weight of 219.24 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperazin-1-yl-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 20644640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).