2-(4-fluorophenoxy)-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone

C21H21FN2O5 — CID 24506214

IUPAC2-(4-fluorophenoxy)-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
SMILESO=C(C1CN(C(=O)COc2ccc(F)cc2)c2ccccc2O1)N1CCOCC1
InChIInChI=1S/C21H21FN2O5/c22-15-5-7-16(8-6-15)28-14-20(25)24-13-19(21(26)23-9-11-27-12-10-23)29-18-4-2-1-3-17(18)24/h1-8,19H,9-14H2
InChIKeyVQEUPQVOAISFKH-UHFFFAOYSA-N
MW400.41 g/mol
LogP1.86
Rot. Bonds4

About 2-(4-fluorophenoxy)-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone

2-(4-fluorophenoxy)-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone (PubChem CID 24506214) has the molecular formula C21H21FN2O5 and a molecular weight of 400.41 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
PubChem CID24506214
Molecular FormulaC21H21FN2O5
Molecular Weight400.41 g/mol
Exact Mass400.14
IUPAC Name2-(4-fluorophenoxy)-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
SMILESO=C(C1CN(C(=O)COc2ccc(F)cc2)c2ccccc2O1)N1CCOCC1
InChIInChI=1S/C21H21FN2O5/c22-15-5-7-16(8-6-15)28-14-20(25)24-13-19(21(26)23-9-11-27-12-10-23)29-18-4-2-1-3-17(18)24/h1-8,19H,9-14H2
InChIKeyVQEUPQVOAISFKH-UHFFFAOYSA-N
XLogP1.86
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-fluorophenoxy)-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone with MolForge

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Related Compounds

[4-(4-fluorobenzoyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone
CID 17464763
(2R)-4-[2-(4-fluorophenoxy)acetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 8946308
cyclopentyl-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
CID 71901442
[1-(4-fluorobenzoyl)piperidin-3-yl]-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
CID 24535217
2-(3-methoxyphenyl)-1-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 27446738
3-[5-(4-methoxyphenyl)furan-2-yl]-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propan-1-one
CID 24524950
4-methyl-3-[2-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxoethyl]-1,3-thiazol-2-one
CID 9450417
4-(2-phenoxyacetyl)-2,3-dihydro-1,4-benzoxazine-2-carbohydrazide
CID 133185734
N-benzyl-4-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 133159942
[(2R)-4-[3-(difluoromethoxy)benzoyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone
CID 27446715
4-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid
CID 119934699
[(2R)-4-(4-methylbenzoyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone
CID 9246660

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone?
The IUPAC name of 2-(4-fluorophenoxy)-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone (CID 24506214) is 2-(4-fluorophenoxy)-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenoxy)-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenoxy)-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone is O=C(C1CN(C(=O)COc2ccc(F)cc2)c2ccccc2O1)N1CCOCC1.
What is the InChIKey of 2-(4-fluorophenoxy)-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone?
The InChIKey is VQEUPQVOAISFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O5/c22-15-5-7-16(8-6-15)28-14-20(25)24-13-19(21(26)23-9-11-27-12-10-23)29-18-4-2-1-3-17(18)24/h1-8,19H,9-14H2.
What are the key properties of 2-(4-fluorophenoxy)-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone?
2-(4-fluorophenoxy)-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone has a molecular weight of 400.41 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone is sourced from PubChem (CID 24506214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).