1-[2-[(2,4-difluorophenyl)methoxy]-5-(morpholine-4-carbonyl)phenyl]-2-(3-methyl-1,2-oxazol-4-yl)ethanone

C24H22F2N2O5 — CID 158196410

IUPAC1-[2-[(2,4-difluorophenyl)methoxy]-5-(morpholine-4-carbonyl)phenyl]-2-(3-methyl-1,2-oxazol-4-yl)ethanone
SMILESCc1nocc1CC(=O)c1cc(C(=O)N2CCOCC2)ccc1OCc1ccc(F)cc1F
InChIInChI=1S/C24H22F2N2O5/c1-15-18(14-33-27-15)11-22(29)20-10-16(24(30)28-6-8-31-9-7-28)3-5-23(20)32-13-17-2-4-19(25)12-21(17)26/h2-5,10,12,14H,6-9,11,13H2,1H3
InChIKeyGAJUKKITYCFDAO-UHFFFAOYSA-N
MW456.45 g/mol
LogP3.74
Rot. Bonds7

About 1-[2-[(2,4-difluorophenyl)methoxy]-5-(morpholine-4-carbonyl)phenyl]-2-(3-methyl-1,2-oxazol-4-yl)ethanone

1-[2-[(2,4-difluorophenyl)methoxy]-5-(morpholine-4-carbonyl)phenyl]-2-(3-methyl-1,2-oxazol-4-yl)ethanone (PubChem CID 158196410) has the molecular formula C24H22F2N2O5 and a molecular weight of 456.45 g/mol. Its IUPAC name is 1-[2-[(2,4-difluorophenyl)methoxy]-5-(morpholine-4-carbonyl)phenyl]-2-(3-methyl-1,2-oxazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[2-[(2,4-difluorophenyl)methoxy]-5-(morpholine-4-carbonyl)phenyl]-2-(3-methyl-1,2-oxazol-4-yl)ethanone
PubChem CID158196410
Molecular FormulaC24H22F2N2O5
Molecular Weight456.45 g/mol
Exact Mass456.15
IUPAC Name1-[2-[(2,4-difluorophenyl)methoxy]-5-(morpholine-4-carbonyl)phenyl]-2-(3-methyl-1,2-oxazol-4-yl)ethanone
SMILESCc1nocc1CC(=O)c1cc(C(=O)N2CCOCC2)ccc1OCc1ccc(F)cc1F
InChIInChI=1S/C24H22F2N2O5/c1-15-18(14-33-27-15)11-22(29)20-10-16(24(30)28-6-8-31-9-7-28)3-5-23(20)32-13-17-2-4-19(25)12-21(17)26/h2-5,10,12,14H,6-9,11,13H2,1H3
InChIKeyGAJUKKITYCFDAO-UHFFFAOYSA-N
XLogP3.74
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.45
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(2,4-difluorophenyl)methoxy]-5-(morpholine-4-carbonyl)benzoate
CID 67107388
1-[2-[(4-fluorophenyl)methoxy]-5-(morpholine-4-carbonyl)phenyl]-2-(2-fluoro-3-pyridinyl)ethanone
CID 159065235
3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[3-(morpholine-4-carbonyl)phenyl]pyridin-2-one
CID 69025877
5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[[4-(morpholine-4-carbonyl)phenyl]methyl]pyrimidin-4-one
CID 21089673
5-bromo-6-[(2,4-difluorophenyl)methoxy]-3-[2-fluoro-5-(4-methylpiperazine-1-carbonyl)phenyl]-2-methylpyrimidin-4-one
CID 21089737
1-[2-[(2,4-difluorophenyl)methoxy]-5-methylphenyl]-4-methylpent-4-en-1-one
CID 142835435
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
2-[(2,4-difluorophenyl)methoxy]benzoic acid
CID 62198104
3-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]-5-morpholin-4-ylbenzoic acid;1-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]pentane-1,4-dione
CID 158836241
3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]pyridin-2-one
CID 22050971
[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 43001761
2-(2,4-difluorophenoxy)-1-morpholin-4-ylethanone
CID 17190869

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,4-difluorophenyl)methoxy]-5-(morpholine-4-carbonyl)phenyl]-2-(3-methyl-1,2-oxazol-4-yl)ethanone?
The IUPAC name of 1-[2-[(2,4-difluorophenyl)methoxy]-5-(morpholine-4-carbonyl)phenyl]-2-(3-methyl-1,2-oxazol-4-yl)ethanone (CID 158196410) is 1-[2-[(2,4-difluorophenyl)methoxy]-5-(morpholine-4-carbonyl)phenyl]-2-(3-methyl-1,2-oxazol-4-yl)ethanone.
What is the SMILES notation for 1-[2-[(2,4-difluorophenyl)methoxy]-5-(morpholine-4-carbonyl)phenyl]-2-(3-methyl-1,2-oxazol-4-yl)ethanone?
The canonical SMILES for 1-[2-[(2,4-difluorophenyl)methoxy]-5-(morpholine-4-carbonyl)phenyl]-2-(3-methyl-1,2-oxazol-4-yl)ethanone is Cc1nocc1CC(=O)c1cc(C(=O)N2CCOCC2)ccc1OCc1ccc(F)cc1F.
What is the InChIKey of 1-[2-[(2,4-difluorophenyl)methoxy]-5-(morpholine-4-carbonyl)phenyl]-2-(3-methyl-1,2-oxazol-4-yl)ethanone?
The InChIKey is GAJUKKITYCFDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N2O5/c1-15-18(14-33-27-15)11-22(29)20-10-16(24(30)28-6-8-31-9-7-28)3-5-23(20)32-13-17-2-4-19(25)12-21(17)26/h2-5,10,12,14H,6-9,11,13H2,1H3.
What are the key properties of 1-[2-[(2,4-difluorophenyl)methoxy]-5-(morpholine-4-carbonyl)phenyl]-2-(3-methyl-1,2-oxazol-4-yl)ethanone?
1-[2-[(2,4-difluorophenyl)methoxy]-5-(morpholine-4-carbonyl)phenyl]-2-(3-methyl-1,2-oxazol-4-yl)ethanone has a molecular weight of 456.45 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,4-difluorophenyl)methoxy]-5-(morpholine-4-carbonyl)phenyl]-2-(3-methyl-1,2-oxazol-4-yl)ethanone is sourced from PubChem (CID 158196410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).