N-(1,2-benzoxazol-3-yl)piperazine-1-carboxamide

C12H14N4O2 — CID 68724237

IUPACN-(1,2-benzoxazol-3-yl)piperazine-1-carboxamide
SMILESO=C(Nc1noc2ccccc12)N1CCNCC1
InChIInChI=1S/C12H14N4O2/c17-12(16-7-5-13-6-8-16)14-11-9-3-1-2-4-10(9)18-15-11/h1-4,13H,5-8H2,(H,14,15,17)
InChIKeyIOYFXRQCDSUEIU-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.26
Rot. Bonds1

About N-(1,2-benzoxazol-3-yl)piperazine-1-carboxamide

N-(1,2-benzoxazol-3-yl)piperazine-1-carboxamide (PubChem CID 68724237) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-(1,2-benzoxazol-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1,2-benzoxazol-3-yl)piperazine-1-carboxamide
PubChem CID68724237
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-(1,2-benzoxazol-3-yl)piperazine-1-carboxamide
SMILESO=C(Nc1noc2ccccc12)N1CCNCC1
InChIInChI=1S/C12H14N4O2/c17-12(16-7-5-13-6-8-16)14-11-9-3-1-2-4-10(9)18-15-11/h1-4,13H,5-8H2,(H,14,15,17)
InChIKeyIOYFXRQCDSUEIU-UHFFFAOYSA-N
XLogP1.26
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzoxazol-3-yl)piperazine-1-carboxamide?
The IUPAC name of N-(1,2-benzoxazol-3-yl)piperazine-1-carboxamide (CID 68724237) is N-(1,2-benzoxazol-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(1,2-benzoxazol-3-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(1,2-benzoxazol-3-yl)piperazine-1-carboxamide is O=C(Nc1noc2ccccc12)N1CCNCC1.
What is the InChIKey of N-(1,2-benzoxazol-3-yl)piperazine-1-carboxamide?
The InChIKey is IOYFXRQCDSUEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c17-12(16-7-5-13-6-8-16)14-11-9-3-1-2-4-10(9)18-15-11/h1-4,13H,5-8H2,(H,14,15,17).
What are the key properties of N-(1,2-benzoxazol-3-yl)piperazine-1-carboxamide?
N-(1,2-benzoxazol-3-yl)piperazine-1-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-benzoxazol-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 68724237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).