2-[4-[(5-amino-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]ethanol

C14H20N4O2 — CID 79964992

IUPAC2-[4-[(5-amino-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]ethanol
SMILESNc1ccc2oc(CN3CCN(CCO)CC3)nc2c1
InChIInChI=1S/C14H20N4O2/c15-11-1-2-13-12(9-11)16-14(20-13)10-18-5-3-17(4-6-18)7-8-19/h1-2,9,19H,3-8,10,15H2
InChIKeyONCJAXTYMPEVOY-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.52
Rot. Bonds4

About 2-[4-[(5-amino-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]ethanol

2-[4-[(5-amino-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]ethanol (PubChem CID 79964992) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[4-[(5-amino-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(5-amino-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]ethanol
PubChem CID79964992
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name2-[4-[(5-amino-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]ethanol
SMILESNc1ccc2oc(CN3CCN(CCO)CC3)nc2c1
InChIInChI=1S/C14H20N4O2/c15-11-1-2-13-12(9-11)16-14(20-13)10-18-5-3-17(4-6-18)7-8-19/h1-2,9,19H,3-8,10,15H2
InChIKeyONCJAXTYMPEVOY-UHFFFAOYSA-N
XLogP0.52
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-amino-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[(5-amino-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]ethanol (CID 79964992) is 2-[4-[(5-amino-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(5-amino-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(5-amino-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]ethanol is Nc1ccc2oc(CN3CCN(CCO)CC3)nc2c1.
What is the InChIKey of 2-[4-[(5-amino-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]ethanol?
The InChIKey is ONCJAXTYMPEVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c15-11-1-2-13-12(9-11)16-14(20-13)10-18-5-3-17(4-6-18)7-8-19/h1-2,9,19H,3-8,10,15H2.
What are the key properties of 2-[4-[(5-amino-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]ethanol?
2-[4-[(5-amino-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]ethanol has a molecular weight of 276.34 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-amino-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 79964992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).