4-benzyl-2-(2-hydroxyethyl)-1,4-benzoxazin-3-one

C17H17NO3 — CID 53003028

IUPAC4-benzyl-2-(2-hydroxyethyl)-1,4-benzoxazin-3-one
SMILESO=C1C(CCO)Oc2ccccc2N1Cc1ccccc1
InChIInChI=1S/C17H17NO3/c19-11-10-16-17(20)18(12-13-6-2-1-3-7-13)14-8-4-5-9-15(14)21-16/h1-9,16,19H,10-12H2
InChIKeyQZPGWMCOSDLRNB-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.36
Rot. Bonds4

About 4-benzyl-2-(2-hydroxyethyl)-1,4-benzoxazin-3-one

4-benzyl-2-(2-hydroxyethyl)-1,4-benzoxazin-3-one (PubChem CID 53003028) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-benzyl-2-(2-hydroxyethyl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-benzyl-2-(2-hydroxyethyl)-1,4-benzoxazin-3-one
PubChem CID53003028
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name4-benzyl-2-(2-hydroxyethyl)-1,4-benzoxazin-3-one
SMILESO=C1C(CCO)Oc2ccccc2N1Cc1ccccc1
InChIInChI=1S/C17H17NO3/c19-11-10-16-17(20)18(12-13-6-2-1-3-7-13)14-8-4-5-9-15(14)21-16/h1-9,16,19H,10-12H2
InChIKeyQZPGWMCOSDLRNB-UHFFFAOYSA-N
XLogP2.36
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-(2-hydroxyethyl)-1,4-benzoxazin-3-one?
The IUPAC name of 4-benzyl-2-(2-hydroxyethyl)-1,4-benzoxazin-3-one (CID 53003028) is 4-benzyl-2-(2-hydroxyethyl)-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-benzyl-2-(2-hydroxyethyl)-1,4-benzoxazin-3-one?
The canonical SMILES for 4-benzyl-2-(2-hydroxyethyl)-1,4-benzoxazin-3-one is O=C1C(CCO)Oc2ccccc2N1Cc1ccccc1.
What is the InChIKey of 4-benzyl-2-(2-hydroxyethyl)-1,4-benzoxazin-3-one?
The InChIKey is QZPGWMCOSDLRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c19-11-10-16-17(20)18(12-13-6-2-1-3-7-13)14-8-4-5-9-15(14)21-16/h1-9,16,19H,10-12H2.
What are the key properties of 4-benzyl-2-(2-hydroxyethyl)-1,4-benzoxazin-3-one?
4-benzyl-2-(2-hydroxyethyl)-1,4-benzoxazin-3-one has a molecular weight of 283.33 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-(2-hydroxyethyl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 53003028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).