1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluoroanilino)pyridin-2-one

C23H20FN3O2 — CID 90235051

IUPAC1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluoroanilino)pyridin-2-one
SMILESCc1noc(C)c1-c1cc(Nc2ccc(F)cc2)c(=O)n(Cc2ccccc2)c1
InChIInChI=1S/C23H20FN3O2/c1-15-22(16(2)29-26-15)18-12-21(25-20-10-8-19(24)9-11-20)23(28)27(14-18)13-17-6-4-3-5-7-17/h3-12,14,25H,13H2,1-2H3
InChIKeyNFMNGEQQYBPYCK-UHFFFAOYSA-N
MW389.43 g/mol
LogP5.05
Rot. Bonds5

About 1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluoroanilino)pyridin-2-one

1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluoroanilino)pyridin-2-one (PubChem CID 90235051) has the molecular formula C23H20FN3O2 and a molecular weight of 389.43 g/mol. Its IUPAC name is 1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluoroanilino)pyridin-2-one.

Molecular Properties

Compound Name1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluoroanilino)pyridin-2-one
PubChem CID90235051
Molecular FormulaC23H20FN3O2
Molecular Weight389.43 g/mol
Exact Mass389.15
IUPAC Name1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluoroanilino)pyridin-2-one
SMILESCc1noc(C)c1-c1cc(Nc2ccc(F)cc2)c(=O)n(Cc2ccccc2)c1
InChIInChI=1S/C23H20FN3O2/c1-15-22(16(2)29-26-15)18-12-21(25-20-10-8-19(24)9-11-20)23(28)27(14-18)13-17-6-4-3-5-7-17/h3-12,14,25H,13H2,1-2H3
InChIKeyNFMNGEQQYBPYCK-UHFFFAOYSA-N
XLogP5.05
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.43
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluoroanilino)pyridin-2-one?
The IUPAC name of 1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluoroanilino)pyridin-2-one (CID 90235051) is 1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluoroanilino)pyridin-2-one.
What is the SMILES notation for 1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluoroanilino)pyridin-2-one?
The canonical SMILES for 1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluoroanilino)pyridin-2-one is Cc1noc(C)c1-c1cc(Nc2ccc(F)cc2)c(=O)n(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluoroanilino)pyridin-2-one?
The InChIKey is NFMNGEQQYBPYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O2/c1-15-22(16(2)29-26-15)18-12-21(25-20-10-8-19(24)9-11-20)23(28)27(14-18)13-17-6-4-3-5-7-17/h3-12,14,25H,13H2,1-2H3.
What are the key properties of 1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluoroanilino)pyridin-2-one?
1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluoroanilino)pyridin-2-one has a molecular weight of 389.43 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluoroanilino)pyridin-2-one is sourced from PubChem (CID 90235051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).