(6S)-3-(3-fluorophenyl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide

C20H15F4N3O2 — CID 142592291

IUPAC(6S)-3-(3-fluorophenyl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide
SMILESC[C@H]1Cc2noc(-c3cccc(F)c3)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C20H15F4N3O2/c1-10-5-17-14(19(29-26-17)11-3-2-4-12(21)6-11)9-27(10)20(28)25-13-7-15(22)18(24)16(23)8-13/h2-4,6-8,10H,5,9H2,1H3,(H,25,28)/t10-/m0/s1
InChIKeyPLDPBUQAZRQICX-JTQLQIEISA-N
MW405.35 g/mol
LogP4.88
Rot. Bonds2

About (6S)-3-(3-fluorophenyl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide

(6S)-3-(3-fluorophenyl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 142592291) has the molecular formula C20H15F4N3O2 and a molecular weight of 405.35 g/mol. Its IUPAC name is (6S)-3-(3-fluorophenyl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name(6S)-3-(3-fluorophenyl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide
PubChem CID142592291
Molecular FormulaC20H15F4N3O2
Molecular Weight405.35 g/mol
Exact Mass405.11
IUPAC Name(6S)-3-(3-fluorophenyl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide
SMILESC[C@H]1Cc2noc(-c3cccc(F)c3)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C20H15F4N3O2/c1-10-5-17-14(19(29-26-17)11-3-2-4-12(21)6-11)9-27(10)20(28)25-13-7-15(22)18(24)16(23)8-13/h2-4,6-8,10H,5,9H2,1H3,(H,25,28)/t10-/m0/s1
InChIKeyPLDPBUQAZRQICX-JTQLQIEISA-N
XLogP4.88
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.35
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(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
N-(3,4-difluoro-5-methylphenyl)-3-(3-methoxyphenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide
CID 157396435
(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
(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
(6S)-N-(3,4-difluoro-5-methylphenyl)-3-(3-isocyanophenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3,4-difluoro-5-methylphenyl)-3-(2-methoxyphenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3,4-difluoro-5-methylphenyl)-3-(3-methoxyphenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide;(6S)-N-(3,4-difluoro-5-methylphenyl)-3-(4-methoxyphenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide
CID 159704543
[3-(2,4-difluorophenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-(3,4,5-trifluoroanilino)methanol
CID 155349981
(4S)-4-methyl-3-(5-methyl-1,2-oxazol-3-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide
CID 142592276
N-(3-chloro-4,5-difluorophenyl)-5,13-dimethyl-14-oxo-12-oxa-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
CID 145434851
N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-3-pyrimidin-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide
CID 155226176
(2S)-N-(3-fluorophenyl)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95057702
(2R)-N-(3-fluorophenyl)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95057703

Frequently Asked Questions

What is the IUPAC name of (6S)-3-(3-fluorophenyl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of (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) is (6S)-3-(3-fluorophenyl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for (6S)-3-(3-fluorophenyl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for (6S)-3-(3-fluorophenyl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide is C[C@H]1Cc2noc(-c3cccc(F)c3)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1.
What is the InChIKey of (6S)-3-(3-fluorophenyl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is PLDPBUQAZRQICX-JTQLQIEISA-N. The full InChI is InChI=1S/C20H15F4N3O2/c1-10-5-17-14(19(29-26-17)11-3-2-4-12(21)6-11)9-27(10)20(28)25-13-7-15(22)18(24)16(23)8-13/h2-4,6-8,10H,5,9H2,1H3,(H,25,28)/t10-/m0/s1.
What are the key properties of (6S)-3-(3-fluorophenyl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide?
(6S)-3-(3-fluorophenyl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 405.35 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-(3-fluorophenyl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 142592291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).