2-Benzoxazolinone, 3-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)-
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Basic information
- CAS
14733-76-7- Standard SMILES
O=c1oc2ccccc2n1CCCN1CCN(CCO)CC1- InChIKey
CCXDRDZXJGUIGM-UHFFFAOYSA-N- Molecular formula
- C16H23N3O3
- Average molar mass
- 305.37 g/mol
- Monoisotopic mass
- 305.1739416
Names & identifiers
- Preferred name
- 2-Benzoxazolinone, 3-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)-
- IUPAC
- 3-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-1,3-benzoxazol-2-one
- English name
- 3-[3-[4-(2-Hydroxyethyl)piperazin-1-yl]propyl]benzoxazol-2(3H)-one
- Molecular formula
- C16H23N3O3
- Molecular weight
- 305.37
Names & synonyms
BRN 122312914733-76-72-BENZOXAZOLINONE, 3-(3-(4-(2-HYDROXYETHYL)-1-PIPERAZINYL)PROPYL)-DTXSID201636813-(3-(4-(2-Hydroxyethyl)-1-piperazinyl)propyl)-2-benzoxazolinoneRefChem:256414DTXCID10861723-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-1,3-benzoxazol-2-one3-[3-[4-(2-Hydroxyethyl)piperazin-1-yl]propyl]benzoxazol-2(3H)-oneAKOS033008583Z10511107343-{3-[4-(2-Hydroxyethyl)piperazin-1-yl]propyl}-1,3-benzoxazol-2(3H)-one
Show more names
2(3H)-Benzoxazolone, 3-[3-[4-(2-hydroxyethyl)-1-piperazinyl]propyl]-
Database identifiers
- CAS
14733-76-7- PubChem CID
- 26855
- DTXSID
DTXSID20163681- Nikkaji
- J67.937B
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 372
Physicochemical properties
- Boiling point
- 475.7 · 475.7±55.0 °C(Predicted)
- Density
- 1.217 · 1.217±0.06 g/cm3(Predicted)
- pka
- 14.96 · 14.96±0.10(Predicted)
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Compound notes
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