6-[(5-ethylfuran-2-yl)-hydroxymethyl]-4H-1,4-benzoxazin-3-one

C15H15NO4 — CID 79096366

IUPAC6-[(5-ethylfuran-2-yl)-hydroxymethyl]-4H-1,4-benzoxazin-3-one
SMILESCCc1ccc(C(O)c2ccc3c(c2)NC(=O)CO3)o1
InChIInChI=1S/C15H15NO4/c1-2-10-4-6-13(20-10)15(18)9-3-5-12-11(7-9)16-14(17)8-19-12/h3-7,15,18H,2,8H2,1H3,(H,16,17)
InChIKeyYMLBRRZTGYXXPF-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.25
Rot. Bonds3

About 6-[(5-ethylfuran-2-yl)-hydroxymethyl]-4H-1,4-benzoxazin-3-one

6-[(5-ethylfuran-2-yl)-hydroxymethyl]-4H-1,4-benzoxazin-3-one (PubChem CID 79096366) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 6-[(5-ethylfuran-2-yl)-hydroxymethyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[(5-ethylfuran-2-yl)-hydroxymethyl]-4H-1,4-benzoxazin-3-one
PubChem CID79096366
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name6-[(5-ethylfuran-2-yl)-hydroxymethyl]-4H-1,4-benzoxazin-3-one
SMILESCCc1ccc(C(O)c2ccc3c(c2)NC(=O)CO3)o1
InChIInChI=1S/C15H15NO4/c1-2-10-4-6-13(20-10)15(18)9-3-5-12-11(7-9)16-14(17)8-19-12/h3-7,15,18H,2,8H2,1H3,(H,16,17)
InChIKeyYMLBRRZTGYXXPF-UHFFFAOYSA-N
XLogP2.25
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[(5-ethylfuran-2-yl)-hydroxymethyl]-4H-1,4-benzoxazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(5-ethylfuran-2-yl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 79096703
6-[(1R)-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one
CID 47003494
6-[dimethylamino(hydroxy)methyl]-4H-1,4-benzoxazin-3-one
CID 116909589
6-[hydroxy-(4-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one
CID 61082397
6-[(3,5-dichlorophenyl)-hydroxymethyl]-4H-1,4-benzoxazin-3-one
CID 61082606
6-[1-hydroxy-3-(methylamino)propyl]-4H-1,4-benzoxazin-3-one
CID 82496759
6-[hydroxy(1H-pyrazol-5-yl)methyl]-4H-1,4-benzoxazin-3-one
CID 114992868
6-[hydroxy-(2-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one
CID 61082603
6-[(4,5-dibromothiophen-2-yl)-hydroxymethyl]-4H-1,4-benzoxazin-3-one
CID 80537711
6-[(1S)-1-[(5-methylfuran-2-yl)methylamino]ethyl]-4H-1,4-benzoxazin-3-one
CID 34541568
6-[1-[(5-methylfuran-2-yl)methylamino]ethyl]-4H-1,4-benzoxazin-3-one
CID 51078445
6-(1-chloro-2-methylbutyl)-4H-1,4-benzoxazin-3-one
CID 61085852

Frequently Asked Questions

What is the IUPAC name of 6-[(5-ethylfuran-2-yl)-hydroxymethyl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[(5-ethylfuran-2-yl)-hydroxymethyl]-4H-1,4-benzoxazin-3-one (CID 79096366) is 6-[(5-ethylfuran-2-yl)-hydroxymethyl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[(5-ethylfuran-2-yl)-hydroxymethyl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[(5-ethylfuran-2-yl)-hydroxymethyl]-4H-1,4-benzoxazin-3-one is CCc1ccc(C(O)c2ccc3c(c2)NC(=O)CO3)o1.
What is the InChIKey of 6-[(5-ethylfuran-2-yl)-hydroxymethyl]-4H-1,4-benzoxazin-3-one?
The InChIKey is YMLBRRZTGYXXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-2-10-4-6-13(20-10)15(18)9-3-5-12-11(7-9)16-14(17)8-19-12/h3-7,15,18H,2,8H2,1H3,(H,16,17).
What are the key properties of 6-[(5-ethylfuran-2-yl)-hydroxymethyl]-4H-1,4-benzoxazin-3-one?
6-[(5-ethylfuran-2-yl)-hydroxymethyl]-4H-1,4-benzoxazin-3-one has a molecular weight of 273.29 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-ethylfuran-2-yl)-hydroxymethyl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 79096366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).