methyl 4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-4-hydroxybutanoate

C15H19NO5 — CID 82347035

IUPACmethyl 4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-4-hydroxybutanoate
SMILESCCN1C(=O)COc2ccc(C(O)CCC(=O)OC)cc21
InChIInChI=1S/C15H19NO5/c1-3-16-11-8-10(12(17)5-7-15(19)20-2)4-6-13(11)21-9-14(16)18/h4,6,8,12,17H,3,5,7,9H2,1-2H3
InChIKeyNAALZPNWHJDIJW-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.42
Rot. Bonds5

About methyl 4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-4-hydroxybutanoate

methyl 4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-4-hydroxybutanoate (PubChem CID 82347035) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is methyl 4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-4-hydroxybutanoate.

Molecular Properties

Compound Namemethyl 4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-4-hydroxybutanoate
PubChem CID82347035
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Namemethyl 4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-4-hydroxybutanoate
SMILESCCN1C(=O)COc2ccc(C(O)CCC(=O)OC)cc21
InChIInChI=1S/C15H19NO5/c1-3-16-11-8-10(12(17)5-7-15(19)20-2)4-6-13(11)21-9-14(16)18/h4,6,8,12,17H,3,5,7,9H2,1-2H3
InChIKeyNAALZPNWHJDIJW-UHFFFAOYSA-N
XLogP1.42
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-4-hydroxybutanoate with MolForge

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Related Compounds

4-ethyl-6-[hydroxy(piperidin-4-yl)methyl]-1,4-benzoxazin-3-one
CID 82339668
methyl 4-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)butanoate
CID 43378369
4-ethyl-6-hydroxy-1,4-benzoxazin-3-one
CID 82063398
methyl 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetate
CID 3154550
methyl 2-(6-fluoro-3-oxo-1,4-benzoxazin-4-yl)acetate
CID 26434581
methyl 3-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)propanoate
CID 43479529
4-ethyl-6-fluoro-1,4-benzoxazin-3-one
CID 59525216
1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]urea
CID 118778907
3-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-(2-methylpropyl)amino]propanoic acid
CID 95508326
methyl 2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanoate
CID 116964415
3-[[2-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxoethyl]-methylamino]propanoic acid
CID 94723734
6-(2-bromopropyl)-4-ethyl-1,4-benzoxazin-3-one
CID 82254891

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-4-hydroxybutanoate?
The IUPAC name of methyl 4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-4-hydroxybutanoate (CID 82347035) is methyl 4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-4-hydroxybutanoate.
What is the SMILES notation for methyl 4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-4-hydroxybutanoate?
The canonical SMILES for methyl 4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-4-hydroxybutanoate is CCN1C(=O)COc2ccc(C(O)CCC(=O)OC)cc21.
What is the InChIKey of methyl 4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-4-hydroxybutanoate?
The InChIKey is NAALZPNWHJDIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-3-16-11-8-10(12(17)5-7-15(19)20-2)4-6-13(11)21-9-14(16)18/h4,6,8,12,17H,3,5,7,9H2,1-2H3.
What are the key properties of methyl 4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-4-hydroxybutanoate?
methyl 4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-4-hydroxybutanoate has a molecular weight of 293.32 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-4-hydroxybutanoate is sourced from PubChem (CID 82347035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).