(5R)-5-ethyl-3-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl]-1,3-oxazolidin-2-one

C20H20F3N3O4 — CID 160783529

IUPAC(5R)-5-ethyl-3-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl]-1,3-oxazolidin-2-one
SMILESCC[C@@H]1CN(c2onc3c2CN(C(=O)Cc2cc(F)c(F)c(F)c2)[C@@H](C)C3)C(=O)O1
InChIInChI=1S/C20H20F3N3O4/c1-3-12-8-26(20(28)29-12)19-13-9-25(10(2)4-16(13)24-30-19)17(27)7-11-5-14(21)18(23)15(22)6-11/h5-6,10,12H,3-4,7-9H2,1-2H3/t10-,12+/m0/s1
InChIKeySAXAPZJAKRQTEO-CMPLNLGQSA-N
MW423.39 g/mol
LogP3.34
Rot. Bonds4

About (5R)-5-ethyl-3-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl]-1,3-oxazolidin-2-one

(5R)-5-ethyl-3-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl]-1,3-oxazolidin-2-one (PubChem CID 160783529) has the molecular formula C20H20F3N3O4 and a molecular weight of 423.39 g/mol. Its IUPAC name is (5R)-5-ethyl-3-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-ethyl-3-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl]-1,3-oxazolidin-2-one
PubChem CID160783529
Molecular FormulaC20H20F3N3O4
Molecular Weight423.39 g/mol
Exact Mass423.14
IUPAC Name(5R)-5-ethyl-3-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl]-1,3-oxazolidin-2-one
SMILESCC[C@@H]1CN(c2onc3c2CN(C(=O)Cc2cc(F)c(F)c(F)c2)[C@@H](C)C3)C(=O)O1
InChIInChI=1S/C20H20F3N3O4/c1-3-12-8-26(20(28)29-12)19-13-9-25(10(2)4-16(13)24-30-19)17(27)7-11-5-14(21)18(23)15(22)6-11/h5-6,10,12H,3-4,7-9H2,1-2H3/t10-,12+/m0/s1
InChIKeySAXAPZJAKRQTEO-CMPLNLGQSA-N
XLogP3.34
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.39
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-[(6S)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-2-(3,4,5-trifluorophenyl)ethanone
CID 159512532
(6S)-3-cyclopentyl-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide
CID 142592259
1-benzoyl-3-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]imidazolidin-4-one
CID 152868803
1-[(6S)-6-methyl-3-morpholin-4-ylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(3,4,5-trifluorophenyl)ethanone
CID 159224385
(6S)-3-(3-fluorophenyl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide
CID 142592291
(6S)-6-methyl-3-(1,2-thiazol-4-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide
CID 147410930
(6S)-6-methyl-3-(1,3-thiazol-4-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide
CID 155131327
(5S)-3-[4-(4-acetylpiperazin-1-yl)-3,5-difluorophenyl]-5-ethyl-1,3-oxazolidin-2-one
CID 59953051
(5S)-5-ethyl-3-[3-fluoro-4-(4-isocyanopiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 91016605
4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzamide
CID 158273364
1-[(6S)-3-(4-hydroxy-1,1-dioxo-1,2-thiazolidin-2-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(3,4,5-trifluorophenyl)ethanone
CID 159935768
(6S)-3-(3-methoxyphenyl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide
CID 142592266

Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethyl-3-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-ethyl-3-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl]-1,3-oxazolidin-2-one (CID 160783529) is (5R)-5-ethyl-3-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-ethyl-3-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-ethyl-3-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl]-1,3-oxazolidin-2-one is CC[C@@H]1CN(c2onc3c2CN(C(=O)Cc2cc(F)c(F)c(F)c2)[C@@H](C)C3)C(=O)O1.
What is the InChIKey of (5R)-5-ethyl-3-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl]-1,3-oxazolidin-2-one?
The InChIKey is SAXAPZJAKRQTEO-CMPLNLGQSA-N. The full InChI is InChI=1S/C20H20F3N3O4/c1-3-12-8-26(20(28)29-12)19-13-9-25(10(2)4-16(13)24-30-19)17(27)7-11-5-14(21)18(23)15(22)6-11/h5-6,10,12H,3-4,7-9H2,1-2H3/t10-,12+/m0/s1.
What are the key properties of (5R)-5-ethyl-3-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl]-1,3-oxazolidin-2-one?
(5R)-5-ethyl-3-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl]-1,3-oxazolidin-2-one has a molecular weight of 423.39 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethyl-3-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 160783529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).