3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[2-(2-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one

C19H19FN4O2S — CID 92628833

IUPAC3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[2-(2-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one
SMILESCCc1noc(CCC(=O)N2CCc3nc(-c4ccccc4F)sc3C2)n1
InChIInChI=1S/C19H19FN4O2S/c1-2-16-22-17(26-23-16)7-8-18(25)24-10-9-14-15(11-24)27-19(21-14)12-5-3-4-6-13(12)20/h3-6H,2,7-11H2,1H3
InChIKeyIXKASQQCNSFSMB-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.41
Rot. Bonds5

About 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[2-(2-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one

3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[2-(2-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one (PubChem CID 92628833) has the molecular formula C19H19FN4O2S and a molecular weight of 386.45 g/mol. Its IUPAC name is 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[2-(2-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[2-(2-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one
PubChem CID92628833
Molecular FormulaC19H19FN4O2S
Molecular Weight386.45 g/mol
Exact Mass386.12
IUPAC Name3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[2-(2-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one
SMILESCCc1noc(CCC(=O)N2CCc3nc(-c4ccccc4F)sc3C2)n1
InChIInChI=1S/C19H19FN4O2S/c1-2-16-22-17(26-23-16)7-8-18(25)24-10-9-14-15(11-24)27-19(21-14)12-5-3-4-6-13(12)20/h3-6H,2,7-11H2,1H3
InChIKeyIXKASQQCNSFSMB-UHFFFAOYSA-N
XLogP3.41
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[2-(2-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one with MolForge

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Related Compounds

1-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 170506769
1-(5,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 155960679
1-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-(furan-2-yl)propan-1-one
CID 25365222
5-[2-(2-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl]-2-methoxybenzenesulfonamide
CID 95851700
2-(2-fluorophenoxy)-1-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone
CID 95851662
2-(2-fluorophenyl)-6-pentanoyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135622532
1-(4-benzylsulfonylpiperazin-1-yl)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 52667639
3-[3-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 46278459
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]propan-1-one
CID 70788558
3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 124965559
1-[2-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
CID 92628876
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]propan-1-one
CID 135087941

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[2-(2-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one?
The IUPAC name of 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[2-(2-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one (CID 92628833) is 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[2-(2-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one.
What is the SMILES notation for 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[2-(2-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one?
The canonical SMILES for 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[2-(2-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one is CCc1noc(CCC(=O)N2CCc3nc(-c4ccccc4F)sc3C2)n1.
What is the InChIKey of 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[2-(2-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one?
The InChIKey is IXKASQQCNSFSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2S/c1-2-16-22-17(26-23-16)7-8-18(25)24-10-9-14-15(11-24)27-19(21-14)12-5-3-4-6-13(12)20/h3-6H,2,7-11H2,1H3.
What are the key properties of 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[2-(2-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one?
3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[2-(2-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one has a molecular weight of 386.45 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[2-(2-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one is sourced from PubChem (CID 92628833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).