6-[2-(4-fluorophenoxy)acetyl]-4-[[5-(morpholine-4-carbonyl)furan-2-yl]methyl]-1,4-benzoxazin-3-one

C26H23FN2O7 — CID 46034461

IUPAC6-[2-(4-fluorophenoxy)acetyl]-4-[[5-(morpholine-4-carbonyl)furan-2-yl]methyl]-1,4-benzoxazin-3-one
SMILESO=C(COc1ccc(F)cc1)c1ccc2c(c1)N(Cc1ccc(C(=O)N3CCOCC3)o1)C(=O)CO2
InChIInChI=1S/C26H23FN2O7/c27-18-2-4-19(5-3-18)34-15-22(30)17-1-7-23-21(13-17)29(25(31)16-35-23)14-20-6-8-24(36-20)26(32)28-9-11-33-12-10-28/h1-8,13H,9-12,14-16H2
InChIKeyKZEKQMZCDOGFIO-UHFFFAOYSA-N
MW494.48 g/mol
LogP3.08
Rot. Bonds7

About 6-[2-(4-fluorophenoxy)acetyl]-4-[[5-(morpholine-4-carbonyl)furan-2-yl]methyl]-1,4-benzoxazin-3-one

6-[2-(4-fluorophenoxy)acetyl]-4-[[5-(morpholine-4-carbonyl)furan-2-yl]methyl]-1,4-benzoxazin-3-one (PubChem CID 46034461) has the molecular formula C26H23FN2O7 and a molecular weight of 494.48 g/mol. Its IUPAC name is 6-[2-(4-fluorophenoxy)acetyl]-4-[[5-(morpholine-4-carbonyl)furan-2-yl]methyl]-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[2-(4-fluorophenoxy)acetyl]-4-[[5-(morpholine-4-carbonyl)furan-2-yl]methyl]-1,4-benzoxazin-3-one
PubChem CID46034461
Molecular FormulaC26H23FN2O7
Molecular Weight494.48 g/mol
Exact Mass494.15
IUPAC Name6-[2-(4-fluorophenoxy)acetyl]-4-[[5-(morpholine-4-carbonyl)furan-2-yl]methyl]-1,4-benzoxazin-3-one
SMILESO=C(COc1ccc(F)cc1)c1ccc2c(c1)N(Cc1ccc(C(=O)N3CCOCC3)o1)C(=O)CO2
InChIInChI=1S/C26H23FN2O7/c27-18-2-4-19(5-3-18)34-15-22(30)17-1-7-23-21(13-17)29(25(31)16-35-23)14-20-6-8-24(36-20)26(32)28-9-11-33-12-10-28/h1-8,13H,9-12,14-16H2
InChIKeyKZEKQMZCDOGFIO-UHFFFAOYSA-N
XLogP3.08
TPSA98.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.48
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[2-(4-fluorophenoxy)acetyl]-4-[[5-(morpholine-4-carbonyl)furan-2-yl]methyl]-1,4-benzoxazin-3-one with MolForge

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Related Compounds

N-[(4-fluorophenyl)methyl]-5-[[3-oxo-6-(2-phenoxyacetyl)-1,4-benzoxazin-4-yl]methyl]furan-2-carboxamide
CID 42846322
5-[[6-[2-(4-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 42846261
5-[[6-[2-(4-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]methyl]-N-[(1R)-1-phenylethyl]furan-2-carboxamide
CID 98423565
N-butan-2-yl-5-[[6-[2-(4-ethylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]methyl]furan-2-carboxamide
CID 46034501
N-[(2S)-butan-2-yl]-5-[[6-[2-(3,4-difluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]methyl]furan-2-carboxamide
CID 93319013
5-[[6-[2-(2-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]methyl]-N-(4-fluorophenyl)furan-2-carboxamide
CID 46034282
4-(2-morpholin-4-yl-2-oxoethyl)-6-(2-phenoxyacetyl)-1,4-benzoxazin-3-one
CID 42847189
N-benzyl-5-[[6-[2-(2-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]methyl]furan-2-carboxamide
CID 46034421
N-benzyl-5-[[6-[2-(2-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]methyl]-N-methylfuran-2-carboxamide
CID 46034434
5-[[6-[2-(4-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]methyl]-N-[(1R)-1-phenylethyl]furan-2-carboxamide
CID 98423559
6-[2-(2,4-difluorophenoxy)acetyl]-4-(4-morpholin-4-yl-4-oxobutyl)-1,4-benzoxazin-3-one
CID 42846792
6-acetyl-4-[[5-(4-benzylpiperazine-1-carbonyl)furan-2-yl]methyl]-1,4-benzoxazin-3-one
CID 3956137

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluorophenoxy)acetyl]-4-[[5-(morpholine-4-carbonyl)furan-2-yl]methyl]-1,4-benzoxazin-3-one?
The IUPAC name of 6-[2-(4-fluorophenoxy)acetyl]-4-[[5-(morpholine-4-carbonyl)furan-2-yl]methyl]-1,4-benzoxazin-3-one (CID 46034461) is 6-[2-(4-fluorophenoxy)acetyl]-4-[[5-(morpholine-4-carbonyl)furan-2-yl]methyl]-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[2-(4-fluorophenoxy)acetyl]-4-[[5-(morpholine-4-carbonyl)furan-2-yl]methyl]-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[2-(4-fluorophenoxy)acetyl]-4-[[5-(morpholine-4-carbonyl)furan-2-yl]methyl]-1,4-benzoxazin-3-one is O=C(COc1ccc(F)cc1)c1ccc2c(c1)N(Cc1ccc(C(=O)N3CCOCC3)o1)C(=O)CO2.
What is the InChIKey of 6-[2-(4-fluorophenoxy)acetyl]-4-[[5-(morpholine-4-carbonyl)furan-2-yl]methyl]-1,4-benzoxazin-3-one?
The InChIKey is KZEKQMZCDOGFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O7/c27-18-2-4-19(5-3-18)34-15-22(30)17-1-7-23-21(13-17)29(25(31)16-35-23)14-20-6-8-24(36-20)26(32)28-9-11-33-12-10-28/h1-8,13H,9-12,14-16H2.
What are the key properties of 6-[2-(4-fluorophenoxy)acetyl]-4-[[5-(morpholine-4-carbonyl)furan-2-yl]methyl]-1,4-benzoxazin-3-one?
6-[2-(4-fluorophenoxy)acetyl]-4-[[5-(morpholine-4-carbonyl)furan-2-yl]methyl]-1,4-benzoxazin-3-one has a molecular weight of 494.48 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluorophenoxy)acetyl]-4-[[5-(morpholine-4-carbonyl)furan-2-yl]methyl]-1,4-benzoxazin-3-one is sourced from PubChem (CID 46034461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).