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

C17H13F3N4O2S — CID 155349961

IUPAC6-methyl-3-(1,3-thiazol-5-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide
SMILESCC1Cc2noc(-c3cncs3)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C17H13F3N4O2S/c1-8-2-13-10(16(26-23-13)14-5-21-7-27-14)6-24(8)17(25)22-9-3-11(18)15(20)12(19)4-9/h3-5,7-8H,2,6H2,1H3,(H,22,25)
InChIKeyZUFPWVLDUIMOQM-UHFFFAOYSA-N
MW394.38 g/mol
LogP4.19
Rot. Bonds2

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

6-methyl-3-(1,3-thiazol-5-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 155349961) has the molecular formula C17H13F3N4O2S and a molecular weight of 394.38 g/mol. Its IUPAC name is 6-methyl-3-(1,3-thiazol-5-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name6-methyl-3-(1,3-thiazol-5-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide
PubChem CID155349961
Molecular FormulaC17H13F3N4O2S
Molecular Weight394.38 g/mol
Exact Mass394.07
IUPAC Name6-methyl-3-(1,3-thiazol-5-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide
SMILESCC1Cc2noc(-c3cncs3)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C17H13F3N4O2S/c1-8-2-13-10(16(26-23-13)14-5-21-7-27-14)6-24(8)17(25)22-9-3-11(18)15(20)12(19)4-9/h3-5,7-8H,2,6H2,1H3,(H,22,25)
InChIKeyZUFPWVLDUIMOQM-UHFFFAOYSA-N
XLogP4.19
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-Fluorophenyl)-5-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine
CID 25292951
2-{2-[3-(5-Fluoro-pyridin-2-yl)-5-methyl-isoxazol-4-yl]-ethyl}-thiazole-5-carboxylic acid ethylamide
CID 49782710
2-{2-[3-(5-Fluoro-pyridin-2-yl)-5-methyl-isoxazol-4-yl]-ethyl}-thiazole-5-carboxylic acid methylamide
CID 49782711
2-[2-(5-Methyl-3-pyridin-2-yl-isoxazol-4-yl)-ethyl]-thiazole-5-carboxylic acid (2,2,2-trifluoro-ethyl)-amide
CID 49783338
2-{2-[3-(5-Fluoro-pyridin-2-yl)-5-methyl-isoxazol-4-yl]-ethyl}-thiazole-5-carboxylic acid cyclopropylamide
CID 59568510
2-{2-[3-(5-Fluoro-pyridin-2-yl)-5-methyl-isoxazol-4-yl]-ethyl}-thiazole-5-carboxylic acid isopropylamide
CID 59568511
2-{2-[3-(5-Fluoro-pyridin-2-yl)-5-methyl-isoxazol-4-yl]-ethyl}-thiazole-5-carboxylic acid (2,2,2-trifluoro-ethyl)-amide
CID 59568524
2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-N-propyl-1,3-thiazole-5-carboxamide
CID 66643537
N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[3-(trifluoromethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-1,3-thiazole-5-carboxamide
CID 135262681
(4S)-4-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide
CID 142592275
(6S)-6-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide
CID 142592282
(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

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(1,3-thiazol-5-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of 6-methyl-3-(1,3-thiazol-5-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide (CID 155349961) is 6-methyl-3-(1,3-thiazol-5-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 6-methyl-3-(1,3-thiazol-5-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for 6-methyl-3-(1,3-thiazol-5-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide is CC1Cc2noc(-c3cncs3)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1.
What is the InChIKey of 6-methyl-3-(1,3-thiazol-5-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is ZUFPWVLDUIMOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O2S/c1-8-2-13-10(16(26-23-13)14-5-21-7-27-14)6-24(8)17(25)22-9-3-11(18)15(20)12(19)4-9/h3-5,7-8H,2,6H2,1H3,(H,22,25).
What are the key properties of 6-methyl-3-(1,3-thiazol-5-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide?
6-methyl-3-(1,3-thiazol-5-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 394.38 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(1,3-thiazol-5-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 155349961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).