2-[(5-phenyl-1,3-oxazol-2-yl)methyl-prop-2-enylamino]ethanol

C15H18N2O2 — CID 115631921

IUPAC2-[(5-phenyl-1,3-oxazol-2-yl)methyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)Cc1ncc(-c2ccccc2)o1
InChIInChI=1S/C15H18N2O2/c1-2-8-17(9-10-18)12-15-16-11-14(19-15)13-6-4-3-5-7-13/h2-7,11,18H,1,8-10,12H2
InChIKeyQEONDMUBKRPHCR-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.32
Rot. Bonds7

About 2-[(5-phenyl-1,3-oxazol-2-yl)methyl-prop-2-enylamino]ethanol

2-[(5-phenyl-1,3-oxazol-2-yl)methyl-prop-2-enylamino]ethanol (PubChem CID 115631921) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[(5-phenyl-1,3-oxazol-2-yl)methyl-prop-2-enylamino]ethanol.

Molecular Properties

Compound Name2-[(5-phenyl-1,3-oxazol-2-yl)methyl-prop-2-enylamino]ethanol
PubChem CID115631921
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-[(5-phenyl-1,3-oxazol-2-yl)methyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)Cc1ncc(-c2ccccc2)o1
InChIInChI=1S/C15H18N2O2/c1-2-8-17(9-10-18)12-15-16-11-14(19-15)13-6-4-3-5-7-13/h2-7,11,18H,1,8-10,12H2
InChIKeyQEONDMUBKRPHCR-UHFFFAOYSA-N
XLogP2.32
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-phenyl-1,3-oxazol-2-yl)methyl-prop-2-enylamino]ethanol?
The IUPAC name of 2-[(5-phenyl-1,3-oxazol-2-yl)methyl-prop-2-enylamino]ethanol (CID 115631921) is 2-[(5-phenyl-1,3-oxazol-2-yl)methyl-prop-2-enylamino]ethanol.
What is the SMILES notation for 2-[(5-phenyl-1,3-oxazol-2-yl)methyl-prop-2-enylamino]ethanol?
The canonical SMILES for 2-[(5-phenyl-1,3-oxazol-2-yl)methyl-prop-2-enylamino]ethanol is C=CCN(CCO)Cc1ncc(-c2ccccc2)o1.
What is the InChIKey of 2-[(5-phenyl-1,3-oxazol-2-yl)methyl-prop-2-enylamino]ethanol?
The InChIKey is QEONDMUBKRPHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-8-17(9-10-18)12-15-16-11-14(19-15)13-6-4-3-5-7-13/h2-7,11,18H,1,8-10,12H2.
What are the key properties of 2-[(5-phenyl-1,3-oxazol-2-yl)methyl-prop-2-enylamino]ethanol?
2-[(5-phenyl-1,3-oxazol-2-yl)methyl-prop-2-enylamino]ethanol has a molecular weight of 258.32 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-phenyl-1,3-oxazol-2-yl)methyl-prop-2-enylamino]ethanol is sourced from PubChem (CID 115631921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).