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

C18H20F2N2O3 — CID 30136997

IUPAC3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one
SMILESC[C@@H]1CN(C(=O)CCc2ncc(-c3c(F)cccc3F)o2)C[C@H](C)O1
InChIInChI=1S/C18H20F2N2O3/c1-11-9-22(10-12(2)24-11)17(23)7-6-16-21-8-15(25-16)18-13(19)4-3-5-14(18)20/h3-5,8,11-12H,6-7,9-10H2,1-2H3/t11-,12+
InChIKeySQCKXZSNODYQTK-TXEJJXNPSA-N
MW350.37 g/mol
LogP3.19
Rot. Bonds4

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

3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one (PubChem CID 30136997) has the molecular formula C18H20F2N2O3 and a molecular weight of 350.37 g/mol. Its IUPAC name is 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one
PubChem CID30136997
Molecular FormulaC18H20F2N2O3
Molecular Weight350.37 g/mol
Exact Mass350.14
IUPAC Name3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one
SMILESC[C@@H]1CN(C(=O)CCc2ncc(-c3c(F)cccc3F)o2)C[C@H](C)O1
InChIInChI=1S/C18H20F2N2O3/c1-11-9-22(10-12(2)24-11)17(23)7-6-16-21-8-15(25-16)18-13(19)4-3-5-14(18)20/h3-5,8,11-12H,6-7,9-10H2,1-2H3/t11-,12+
InChIKeySQCKXZSNODYQTK-TXEJJXNPSA-N
XLogP3.19
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 42931025
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]propan-1-one
CID 95156039
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 38377896
1-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]-1,4-diazepan-5-one
CID 56821262
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one
CID 43040414
1-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 46579596
N-[1-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-4-yl]-3-phenylpropanamide
CID 46455789
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-phenylpropanamide
CID 29494121
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-one;dihydrochloride
CID 120656321
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 29482281
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 24602320
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[(2R)-2-methylmorpholin-4-yl]propan-1-one
CID 30176196

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one?
The IUPAC name of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one (CID 30136997) is 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one?
The canonical SMILES for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one is C[C@@H]1CN(C(=O)CCc2ncc(-c3c(F)cccc3F)o2)C[C@H](C)O1.
What is the InChIKey of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one?
The InChIKey is SQCKXZSNODYQTK-TXEJJXNPSA-N. The full InChI is InChI=1S/C18H20F2N2O3/c1-11-9-22(10-12(2)24-11)17(23)7-6-16-21-8-15(25-16)18-13(19)4-3-5-14(18)20/h3-5,8,11-12H,6-7,9-10H2,1-2H3/t11-,12+.
What are the key properties of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one?
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one has a molecular weight of 350.37 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one is sourced from PubChem (CID 30136997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).