5-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide

C17H16FN5O3 — CID 56745598

IUPAC5-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(CN2CCc3onc(-c4cccc(F)c4)c3C2)n1
InChIInChI=1S/C17H16FN5O3/c1-19-17(24)16-20-14(26-22-16)9-23-6-5-13-12(8-23)15(21-25-13)10-3-2-4-11(18)7-10/h2-4,7H,5-6,8-9H2,1H3,(H,19,24)
InChIKeyXYFJMIXZNJWZLS-UHFFFAOYSA-N
MW357.35 g/mol
LogP1.78
Rot. Bonds4

About 5-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide

5-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 56745598) has the molecular formula C17H16FN5O3 and a molecular weight of 357.35 g/mol. Its IUPAC name is 5-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID56745598
Molecular FormulaC17H16FN5O3
Molecular Weight357.35 g/mol
Exact Mass357.12
IUPAC Name5-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(CN2CCc3onc(-c4cccc(F)c4)c3C2)n1
InChIInChI=1S/C17H16FN5O3/c1-19-17(24)16-20-14(26-22-16)9-23-6-5-13-12(8-23)15(21-25-13)10-3-2-4-11(18)7-10/h2-4,7H,5-6,8-9H2,1H3,(H,19,24)
InChIKeyXYFJMIXZNJWZLS-UHFFFAOYSA-N
XLogP1.78
TPSA97.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide with MolForge

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Related Compounds

2-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]benzoic acid
CID 56742227
N-methyl-5-[(2-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-6-yl)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 154570688
2-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-5-methoxypyran-4-one
CID 56744214
5-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 56757738
5-(1,3-benzodioxol-4-ylmethyl)-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 29022737
2-amino-1-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-methylpropan-1-one
CID 56758823
5-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-1,3-oxazolidin-2-one
CID 56756683
3-(3,4-difluorophenyl)-5-[[3-(2-methoxyethoxy)phenyl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 16677690
1-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one
CID 46971865
(2S)-1-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one
CID 51583735
3-(3-fluorophenyl)-5-(2,2,6,6-tetramethylpiperidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 56740545
[5-[[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]furan-2-yl]methanol
CID 25296785

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide (CID 56745598) is 5-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide is CNC(=O)c1noc(CN2CCc3onc(-c4cccc(F)c4)c3C2)n1.
What is the InChIKey of 5-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is XYFJMIXZNJWZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O3/c1-19-17(24)16-20-14(26-22-16)9-23-6-5-13-12(8-23)15(21-25-13)10-3-2-4-11(18)7-10/h2-4,7H,5-6,8-9H2,1H3,(H,19,24).
What are the key properties of 5-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
5-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 357.35 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 56745598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).