5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-fluorobenzoyl)pyridin-2-one;5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyridin-2-one;4-fluorobenzoyl chloride

C34H27ClF2N4O6 — CID 159599015

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-fluorobenzoyl)pyridin-2-one;5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyridin-2-one;4-fluorobenzoyl chloride
SMILESCc1noc(C)c1-c1ccc(=O)[nH]c1.Cc1noc(C)c1-c1ccc(=O)n(C(=O)c2ccc(F)cc2)c1.O=C(Cl)c1ccc(F)cc1
InChIInChI=1S/C17H13FN2O3.C10H10N2O2.C7H4ClFO/c1-10-16(11(2)23-19-10)13-5-8-15(21)20(9-13)17(22)12-3-6-14(18)7-4-12;1-6-10(7(2)14-12-6)8-3-4-9(13)11-5-8;8-7(10)5-1-3-6(9)4-2-5/h3-9H,1-2H3;3-5H,1-2H3,(H,11,13);1-4H
InChIKeyMLFKLGGABQXHMS-UHFFFAOYSA-N
MW661.06 g/mol
LogP6.80
Rot. Bonds4

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-fluorobenzoyl)pyridin-2-one;5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyridin-2-one;4-fluorobenzoyl chloride

5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-fluorobenzoyl)pyridin-2-one;5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyridin-2-one;4-fluorobenzoyl chloride (PubChem CID 159599015) has the molecular formula C34H27ClF2N4O6 and a molecular weight of 661.06 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-fluorobenzoyl)pyridin-2-one;5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyridin-2-one;4-fluorobenzoyl chloride.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-fluorobenzoyl)pyridin-2-one;5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyridin-2-one;4-fluorobenzoyl chloride
PubChem CID159599015
Molecular FormulaC34H27ClF2N4O6
Molecular Weight661.06 g/mol
Exact Mass660.16
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-fluorobenzoyl)pyridin-2-one;5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyridin-2-one;4-fluorobenzoyl chloride
SMILESCc1noc(C)c1-c1ccc(=O)[nH]c1.Cc1noc(C)c1-c1ccc(=O)n(C(=O)c2ccc(F)cc2)c1.O=C(Cl)c1ccc(F)cc1
InChIInChI=1S/C17H13FN2O3.C10H10N2O2.C7H4ClFO/c1-10-16(11(2)23-19-10)13-5-8-15(21)20(9-13)17(22)12-3-6-14(18)7-4-12;1-6-10(7(2)14-12-6)8-3-4-9(13)11-5-8;8-7(10)5-1-3-6(9)4-2-5/h3-9H,1-2H3;3-5H,1-2H3,(H,11,13);1-4H
InChIKeyMLFKLGGABQXHMS-UHFFFAOYSA-N
XLogP6.80
TPSA141.06 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.06
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one
CID 90234491
4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1-pyridinyl]methyl]benzamide
CID 76684731
4-[4-[4-chloro-1,1-bis(4-fluorophenyl)but-1-en-2-yl]phenyl]-3,5-dimethyl-1,2-oxazole
CID 16743588
5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-ethylpyridin-2-one;2-methylpropane
CID 167539274
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110669835
1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)pyridin-2-one
CID 90234589
4-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrole-2-carboxylic acid
CID 165455449
3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluorophenyl)methyl]pyridin-2-one
CID 90234030
1-[1-(4-chlorophenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one
CID 90234026
5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(piperidin-4-ylmethyl)pyridin-2-one;hydrochloride
CID 90235203
[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methanone
CID 92893531
4-(3,5-dimethyl-1,2-oxazol-4-yl)phenol
CID 11651288

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-fluorobenzoyl)pyridin-2-one;5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyridin-2-one;4-fluorobenzoyl chloride?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-fluorobenzoyl)pyridin-2-one;5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyridin-2-one;4-fluorobenzoyl chloride (CID 159599015) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-fluorobenzoyl)pyridin-2-one;5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyridin-2-one;4-fluorobenzoyl chloride.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-fluorobenzoyl)pyridin-2-one;5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyridin-2-one;4-fluorobenzoyl chloride?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-fluorobenzoyl)pyridin-2-one;5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyridin-2-one;4-fluorobenzoyl chloride is Cc1noc(C)c1-c1ccc(=O)[nH]c1.Cc1noc(C)c1-c1ccc(=O)n(C(=O)c2ccc(F)cc2)c1.O=C(Cl)c1ccc(F)cc1.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-fluorobenzoyl)pyridin-2-one;5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyridin-2-one;4-fluorobenzoyl chloride?
The InChIKey is MLFKLGGABQXHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3.C10H10N2O2.C7H4ClFO/c1-10-16(11(2)23-19-10)13-5-8-15(21)20(9-13)17(22)12-3-6-14(18)7-4-12;1-6-10(7(2)14-12-6)8-3-4-9(13)11-5-8;8-7(10)5-1-3-6(9)4-2-5/h3-9H,1-2H3;3-5H,1-2H3,(H,11,13);1-4H.
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-fluorobenzoyl)pyridin-2-one;5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyridin-2-one;4-fluorobenzoyl chloride?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-fluorobenzoyl)pyridin-2-one;5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyridin-2-one;4-fluorobenzoyl chloride has a molecular weight of 661.06 g/mol, XLogP of 6.80, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-fluorobenzoyl)pyridin-2-one;5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyridin-2-one;4-fluorobenzoyl chloride is sourced from PubChem (CID 159599015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).