5-[[3-(4-fluorophenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-8-ylidene]methyl]-2-(4-methylimidazol-1-yl)phenol

C24H23FN4O2 — CID 76798154

IUPAC5-[[3-(4-fluorophenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-8-ylidene]methyl]-2-(4-methylimidazol-1-yl)phenol
SMILESCc1cn(-c2ccc(C=C3CCCN4C3=NOC4(C)c3ccc(F)cc3)cc2O)cn1
InChIInChI=1S/C24H23FN4O2/c1-16-14-28(15-26-16)21-10-5-17(13-22(21)30)12-18-4-3-11-29-23(18)27-31-24(29,2)19-6-8-20(25)9-7-19/h5-10,12-15,30H,3-4,11H2,1-2H3
InChIKeyQAHSGDPFTNSAGB-UHFFFAOYSA-N
MW418.47 g/mol
LogP4.72
Rot. Bonds3

About 5-[[3-(4-fluorophenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-8-ylidene]methyl]-2-(4-methylimidazol-1-yl)phenol

5-[[3-(4-fluorophenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-8-ylidene]methyl]-2-(4-methylimidazol-1-yl)phenol (PubChem CID 76798154) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is 5-[[3-(4-fluorophenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-8-ylidene]methyl]-2-(4-methylimidazol-1-yl)phenol.

Molecular Properties

Compound Name5-[[3-(4-fluorophenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-8-ylidene]methyl]-2-(4-methylimidazol-1-yl)phenol
PubChem CID76798154
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC Name5-[[3-(4-fluorophenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-8-ylidene]methyl]-2-(4-methylimidazol-1-yl)phenol
SMILESCc1cn(-c2ccc(C=C3CCCN4C3=NOC4(C)c3ccc(F)cc3)cc2O)cn1
InChIInChI=1S/C24H23FN4O2/c1-16-14-28(15-26-16)21-10-5-17(13-22(21)30)12-18-4-3-11-29-23(18)27-31-24(29,2)19-6-8-20(25)9-7-19/h5-10,12-15,30H,3-4,11H2,1-2H3
InChIKeyQAHSGDPFTNSAGB-UHFFFAOYSA-N
XLogP4.72
TPSA62.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[8-[[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-fluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol
CID 75171854
3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-3-carbaldehyde
CID 75145925
[3-(4-fluorophenyl)-8-[[4-(4-methylimidazol-1-yl)-3-(pentafluoro-λ6-sulfanyl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol
CID 75147571
(4S,9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-3,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine
CID 46201984
1-[(3S,8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]ethanone
CID 56946206
1-[(3S)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]-N,N-dimethylmethanamine
CID 123983738
(9E)-9-[[3-hydroxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[7,8-dihydro-6H-pyrido[2,1-c][1,2,4]oxadiazine-3,1'-cyclohexane]-4-one
CID 70233973
8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-pyridin-2-yl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine
CID 76798099
(9E)-4-ethyl-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine
CID 70291712
(8'Z)-6-fluoro-8'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[1,2-dihydroindene-3,3'-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine]
CID 59502188
2-[[(3S,8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methylamino]ethanol
CID 56946312
methyl N-[[(3S,8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methyl]-N-methylcarbamate
CID 58476482

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(4-fluorophenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-8-ylidene]methyl]-2-(4-methylimidazol-1-yl)phenol?
The IUPAC name of 5-[[3-(4-fluorophenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-8-ylidene]methyl]-2-(4-methylimidazol-1-yl)phenol (CID 76798154) is 5-[[3-(4-fluorophenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-8-ylidene]methyl]-2-(4-methylimidazol-1-yl)phenol.
What is the SMILES notation for 5-[[3-(4-fluorophenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-8-ylidene]methyl]-2-(4-methylimidazol-1-yl)phenol?
The canonical SMILES for 5-[[3-(4-fluorophenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-8-ylidene]methyl]-2-(4-methylimidazol-1-yl)phenol is Cc1cn(-c2ccc(C=C3CCCN4C3=NOC4(C)c3ccc(F)cc3)cc2O)cn1.
What is the InChIKey of 5-[[3-(4-fluorophenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-8-ylidene]methyl]-2-(4-methylimidazol-1-yl)phenol?
The InChIKey is QAHSGDPFTNSAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-16-14-28(15-26-16)21-10-5-17(13-22(21)30)12-18-4-3-11-29-23(18)27-31-24(29,2)19-6-8-20(25)9-7-19/h5-10,12-15,30H,3-4,11H2,1-2H3.
What are the key properties of 5-[[3-(4-fluorophenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-8-ylidene]methyl]-2-(4-methylimidazol-1-yl)phenol?
5-[[3-(4-fluorophenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-8-ylidene]methyl]-2-(4-methylimidazol-1-yl)phenol has a molecular weight of 418.47 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(4-fluorophenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-8-ylidene]methyl]-2-(4-methylimidazol-1-yl)phenol is sourced from PubChem (CID 76798154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).