3-[(4R)-1,3-oxazolidin-4-yl]-1-[3-[4-[5-(trifluoromethyl)pyrazin-2-yl]oxyphenyl]azetidin-1-yl]propan-1-one

C20H21F3N4O3 — CID 175711335

IUPAC3-[(4R)-1,3-oxazolidin-4-yl]-1-[3-[4-[5-(trifluoromethyl)pyrazin-2-yl]oxyphenyl]azetidin-1-yl]propan-1-one
SMILESO=C(CC[C@@H]1COCN1)N1CC(c2ccc(Oc3cnc(C(F)(F)F)cn3)cc2)C1
InChIInChI=1S/C20H21F3N4O3/c21-20(22,23)17-7-25-18(8-24-17)30-16-4-1-13(2-5-16)14-9-27(10-14)19(28)6-3-15-11-29-12-26-15/h1-2,4-5,7-8,14-15,26H,3,6,9-12H2/t15-/m1/s1
InChIKeyCDPXLMFQNPLUBE-OAHLLOKOSA-N
MW422.41 g/mol
LogP2.94
Rot. Bonds6

About 3-[(4R)-1,3-oxazolidin-4-yl]-1-[3-[4-[5-(trifluoromethyl)pyrazin-2-yl]oxyphenyl]azetidin-1-yl]propan-1-one

3-[(4R)-1,3-oxazolidin-4-yl]-1-[3-[4-[5-(trifluoromethyl)pyrazin-2-yl]oxyphenyl]azetidin-1-yl]propan-1-one (PubChem CID 175711335) has the molecular formula C20H21F3N4O3 and a molecular weight of 422.41 g/mol. Its IUPAC name is 3-[(4R)-1,3-oxazolidin-4-yl]-1-[3-[4-[5-(trifluoromethyl)pyrazin-2-yl]oxyphenyl]azetidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[(4R)-1,3-oxazolidin-4-yl]-1-[3-[4-[5-(trifluoromethyl)pyrazin-2-yl]oxyphenyl]azetidin-1-yl]propan-1-one
PubChem CID175711335
Molecular FormulaC20H21F3N4O3
Molecular Weight422.41 g/mol
Exact Mass422.16
IUPAC Name3-[(4R)-1,3-oxazolidin-4-yl]-1-[3-[4-[5-(trifluoromethyl)pyrazin-2-yl]oxyphenyl]azetidin-1-yl]propan-1-one
SMILESO=C(CC[C@@H]1COCN1)N1CC(c2ccc(Oc3cnc(C(F)(F)F)cn3)cc2)C1
InChIInChI=1S/C20H21F3N4O3/c21-20(22,23)17-7-25-18(8-24-17)30-16-4-1-13(2-5-16)14-9-27(10-14)19(28)6-3-15-11-29-12-26-15/h1-2,4-5,7-8,14-15,26H,3,6,9-12H2/t15-/m1/s1
InChIKeyCDPXLMFQNPLUBE-OAHLLOKOSA-N
XLogP2.94
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(azetidin-3-yl)phenoxy]-5-(trifluoromethyl)pyrazine
CID 162745630
(4S)-4-[3-oxo-3-[3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]azetidin-1-yl]propyl]-1,3-oxazolidin-2-one
CID 162745538
4-[3-oxo-3-[3-(6-spiro[3.3]heptan-2-yl-3-pyridinyl)azetidin-1-yl]propyl]-1,3-oxazolidin-2-one
CID 162745535
4,4,4-trifluoro-1-[3-[4-(trifluoromethyl)phenyl]azetidin-1-yl]butan-1-one
CID 146000553
(4R)-4-[3-[3-[3-fluoro-4-[3-(trifluoromethyl)azetidin-1-yl]phenyl]azetidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one
CID 162746007
(4R)-4-[3-oxo-3-[3-[4-(N-phenylanilino)phenyl]azetidin-1-yl]propyl]-1,3-oxazolidin-2-one
CID 162745729
(4S)-4-[3-oxo-3-[3-[4-[3-(trifluoromethyl)cyclobutyl]phenyl]azetidin-1-yl]propyl]oxolan-2-one
CID 164953510
(4R)-4-[3-[3-[4-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)phenyl]azetidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one
CID 162745753
(4R)-4-[3-[3-[4-[3-(methylsulfonylmethyl)azetidin-1-yl]phenyl]azetidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one
CID 162745804
3-(3H-pyrazol-4-yl)-1-[3-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]azetidin-1-yl]propan-1-one
CID 165091773
2-methoxy-1-[3-[4-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]anilino]quinazolin-6-yl]azetidin-1-yl]ethanone
CID 66571099
[3-(4-fluorophenyl)azepan-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 121146311

Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-1,3-oxazolidin-4-yl]-1-[3-[4-[5-(trifluoromethyl)pyrazin-2-yl]oxyphenyl]azetidin-1-yl]propan-1-one?
The IUPAC name of 3-[(4R)-1,3-oxazolidin-4-yl]-1-[3-[4-[5-(trifluoromethyl)pyrazin-2-yl]oxyphenyl]azetidin-1-yl]propan-1-one (CID 175711335) is 3-[(4R)-1,3-oxazolidin-4-yl]-1-[3-[4-[5-(trifluoromethyl)pyrazin-2-yl]oxyphenyl]azetidin-1-yl]propan-1-one.
What is the SMILES notation for 3-[(4R)-1,3-oxazolidin-4-yl]-1-[3-[4-[5-(trifluoromethyl)pyrazin-2-yl]oxyphenyl]azetidin-1-yl]propan-1-one?
The canonical SMILES for 3-[(4R)-1,3-oxazolidin-4-yl]-1-[3-[4-[5-(trifluoromethyl)pyrazin-2-yl]oxyphenyl]azetidin-1-yl]propan-1-one is O=C(CC[C@@H]1COCN1)N1CC(c2ccc(Oc3cnc(C(F)(F)F)cn3)cc2)C1.
What is the InChIKey of 3-[(4R)-1,3-oxazolidin-4-yl]-1-[3-[4-[5-(trifluoromethyl)pyrazin-2-yl]oxyphenyl]azetidin-1-yl]propan-1-one?
The InChIKey is CDPXLMFQNPLUBE-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H21F3N4O3/c21-20(22,23)17-7-25-18(8-24-17)30-16-4-1-13(2-5-16)14-9-27(10-14)19(28)6-3-15-11-29-12-26-15/h1-2,4-5,7-8,14-15,26H,3,6,9-12H2/t15-/m1/s1.
What are the key properties of 3-[(4R)-1,3-oxazolidin-4-yl]-1-[3-[4-[5-(trifluoromethyl)pyrazin-2-yl]oxyphenyl]azetidin-1-yl]propan-1-one?
3-[(4R)-1,3-oxazolidin-4-yl]-1-[3-[4-[5-(trifluoromethyl)pyrazin-2-yl]oxyphenyl]azetidin-1-yl]propan-1-one has a molecular weight of 422.41 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-1,3-oxazolidin-4-yl]-1-[3-[4-[5-(trifluoromethyl)pyrazin-2-yl]oxyphenyl]azetidin-1-yl]propan-1-one is sourced from PubChem (CID 175711335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).