1-(2,6-dimethylmorpholin-4-yl)-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propan-1-one

C18H21FN2O3 — CID 22221218

IUPAC1-(2,6-dimethylmorpholin-4-yl)-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propan-1-one
SMILESCC1CN(C(=O)CCc2cnoc2-c2ccc(F)cc2)CC(C)O1
InChIInChI=1S/C18H21FN2O3/c1-12-10-21(11-13(2)23-12)17(22)8-5-15-9-20-24-18(15)14-3-6-16(19)7-4-14/h3-4,6-7,9,12-13H,5,8,10-11H2,1-2H3
InChIKeyNNLCPXPNSOVVAF-UHFFFAOYSA-N
MW332.38 g/mol
LogP3.05
Rot. Bonds4

About 1-(2,6-dimethylmorpholin-4-yl)-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propan-1-one

1-(2,6-dimethylmorpholin-4-yl)-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propan-1-one (PubChem CID 22221218) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propan-1-one.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propan-1-one
PubChem CID22221218
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propan-1-one
SMILESCC1CN(C(=O)CCc2cnoc2-c2ccc(F)cc2)CC(C)O1
InChIInChI=1S/C18H21FN2O3/c1-12-10-21(11-13(2)23-12)17(22)8-5-15-9-20-24-18(15)14-3-6-16(19)7-4-14/h3-4,6-7,9,12-13H,5,8,10-11H2,1-2H3
InChIKeyNNLCPXPNSOVVAF-UHFFFAOYSA-N
XLogP3.05
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2,6-dimethylmorpholin-4-yl)-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 27661448
3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 22221011
3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one;2,2,2-trifluoroacetic acid
CID 22221481
1-(2,6-dimethylmorpholin-4-yl)-2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]ethanone
CID 16878754
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 1121974
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 1121972
3-[5-(4-bromophenyl)-1,2-oxazol-4-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 22221165
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methanone
CID 51494370
N-ethyl-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-(2-methoxyethyl)propanamide
CID 22221263
2-(4-fluorophenyl)-1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]ethanone
CID 110369198
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propan-1-one
CID 51488484
3-[5-(3-chloro-4-fluorophenyl)-1,2-oxazol-4-yl]-1-(4-methylpiperazin-1-yl)propan-1-one;2,2,2-trifluoroacetic acid
CID 22221046

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propan-1-one?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propan-1-one (CID 22221218) is 1-(2,6-dimethylmorpholin-4-yl)-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propan-1-one.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propan-1-one?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propan-1-one is CC1CN(C(=O)CCc2cnoc2-c2ccc(F)cc2)CC(C)O1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propan-1-one?
The InChIKey is NNLCPXPNSOVVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3/c1-12-10-21(11-13(2)23-12)17(22)8-5-15-9-20-24-18(15)14-3-6-16(19)7-4-14/h3-4,6-7,9,12-13H,5,8,10-11H2,1-2H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propan-1-one?
1-(2,6-dimethylmorpholin-4-yl)-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propan-1-one has a molecular weight of 332.38 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propan-1-one is sourced from PubChem (CID 22221218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).