2-(4-fluorophenyl)-4-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylidene]-1,3-oxazol-5-one

C25H23FN4O2 — CID 3708304

IUPAC2-(4-fluorophenyl)-4-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylidene]-1,3-oxazol-5-one
SMILESCc1nn(-c2ccccc2)c(N2CCCCC2)c1C=C1N=C(c2ccc(F)cc2)OC1=O
InChIInChI=1S/C25H23FN4O2/c1-17-21(16-22-25(31)32-23(27-22)18-10-12-19(26)13-11-18)24(29-14-6-3-7-15-29)30(28-17)20-8-4-2-5-9-20/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3
InChIKeySFUZMRUAJQVTNE-UHFFFAOYSA-N
MW430.48 g/mol
LogP4.65
Rot. Bonds4

About 2-(4-fluorophenyl)-4-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylidene]-1,3-oxazol-5-one

2-(4-fluorophenyl)-4-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylidene]-1,3-oxazol-5-one (PubChem CID 3708304) has the molecular formula C25H23FN4O2 and a molecular weight of 430.48 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylidene]-1,3-oxazol-5-one
PubChem CID3708304
Molecular FormulaC25H23FN4O2
Molecular Weight430.48 g/mol
Exact Mass430.18
IUPAC Name2-(4-fluorophenyl)-4-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylidene]-1,3-oxazol-5-one
SMILESCc1nn(-c2ccccc2)c(N2CCCCC2)c1C=C1N=C(c2ccc(F)cc2)OC1=O
InChIInChI=1S/C25H23FN4O2/c1-17-21(16-22-25(31)32-23(27-22)18-10-12-19(26)13-11-18)24(29-14-6-3-7-15-29)30(28-17)20-8-4-2-5-9-20/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3
InChIKeySFUZMRUAJQVTNE-UHFFFAOYSA-N
XLogP4.65
TPSA59.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4E)-2-(4-fluorophenyl)-4-[(3-methyl-1-phenylpyrazol-4-yl)methylidene]-1,3-oxazol-5-one
CID 2322900
(4E)-2-(3-bromophenyl)-4-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]-1,3-oxazol-5-one
CID 98309363
N-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylidene]hydroxylamine
CID 781091
(4E)-2-(4-fluorophenyl)-4-[(1-methylpyrazol-4-yl)methylidene]-1,3-oxazol-5-one
CID 97353987
[4-[(Z)-[2-(4-fluorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] methanesulfonate
CID 2184509
(4Z)-2-(4-fluorophenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1,3-oxazol-5-one
CID 806078
2-(4-fluorophenyl)-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one
CID 3109273
(5E)-3-ethyl-5-[(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2373249
(4E)-4-[[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one
CID 2316551
(4E)-2-(4-methylphenyl)-4-[(3-nitro-4-piperidin-1-ylphenyl)methylidene]-1,3-oxazol-5-one
CID 5336519
(4E)-2-phenyl-4-[(4-phenylphenyl)methylidene]-1,3-oxazol-5-one
CID 690059
(4E)-4-[(2-butoxyphenyl)methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one
CID 2199088

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of 2-(4-fluorophenyl)-4-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylidene]-1,3-oxazol-5-one (CID 3708304) is 2-(4-fluorophenyl)-4-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for 2-(4-fluorophenyl)-4-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for 2-(4-fluorophenyl)-4-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylidene]-1,3-oxazol-5-one is Cc1nn(-c2ccccc2)c(N2CCCCC2)c1C=C1N=C(c2ccc(F)cc2)OC1=O.
What is the InChIKey of 2-(4-fluorophenyl)-4-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylidene]-1,3-oxazol-5-one?
The InChIKey is SFUZMRUAJQVTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2/c1-17-21(16-22-25(31)32-23(27-22)18-10-12-19(26)13-11-18)24(29-14-6-3-7-15-29)30(28-17)20-8-4-2-5-9-20/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-4-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylidene]-1,3-oxazol-5-one?
2-(4-fluorophenyl)-4-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylidene]-1,3-oxazol-5-one has a molecular weight of 430.48 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 3708304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).