3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]propan-1-one

C20H26N2O3 — CID 100898420

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]propan-1-one
SMILESCc1noc(C)c1CCC(=O)N1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C20H26N2O3/c1-13-12-24-20(17-8-6-5-7-9-17)15(3)22(13)19(23)11-10-18-14(2)21-25-16(18)4/h5-9,13,15,20H,10-12H2,1-4H3/t13-,15-,20+/m1/s1
InChIKeyITTXAVSUMOTEFA-RCDCFZSISA-N
MW342.44 g/mol
LogP3.60
Rot. Bonds4

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]propan-1-one

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]propan-1-one (PubChem CID 100898420) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]propan-1-one
PubChem CID100898420
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]propan-1-one
SMILESCc1noc(C)c1CCC(=O)N1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C20H26N2O3/c1-13-12-24-20(17-8-6-5-7-9-17)15(3)22(13)19(23)11-10-18-14(2)21-25-16(18)4/h5-9,13,15,20H,10-12H2,1-4H3/t13-,15-,20+/m1/s1
InChIKeyITTXAVSUMOTEFA-RCDCFZSISA-N
XLogP3.60
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]ethanone
CID 100891584
1-[(2S,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 100847911
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one
CID 71707666
1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-3-(propan-2-ylamino)propan-1-one
CID 125151471
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-phenylpyrrolidin-1-yl)propan-1-one
CID 75459962
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-phenylpyrrolidin-1-yl]propan-1-one
CID 94578579
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-5,5-dimethyl-2-phenylmorpholin-4-yl]propan-1-one
CID 95173306
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-phenylazepan-1-yl]propan-1-one
CID 97313178
1-[(4S,9aR)-4-phenyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 134700820
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
CID 33166466
1-[(1R,2R,4S)-2-benzyl-2-(hydroxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 146046130
1-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-2-[[(2S)-oxolan-2-yl]methylamino]ethanone
CID 125146662

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]propan-1-one?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]propan-1-one (CID 100898420) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]propan-1-one is Cc1noc(C)c1CCC(=O)N1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]propan-1-one?
The InChIKey is ITTXAVSUMOTEFA-RCDCFZSISA-N. The full InChI is InChI=1S/C20H26N2O3/c1-13-12-24-20(17-8-6-5-7-9-17)15(3)22(13)19(23)11-10-18-14(2)21-25-16(18)4/h5-9,13,15,20H,10-12H2,1-4H3/t13-,15-,20+/m1/s1.
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]propan-1-one?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]propan-1-one has a molecular weight of 342.44 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]propan-1-one is sourced from PubChem (CID 100898420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).