5-[5-(2,4-difluorophenyl)-2-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-oxazol-4-yl]-1-(2,6-dimethylphenyl)pyridin-2-one

C30H31F2N3O3 — CID 68688804

IUPAC5-[5-(2,4-difluorophenyl)-2-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-oxazol-4-yl]-1-(2,6-dimethylphenyl)pyridin-2-one
SMILESCOCCN1CCC(c2nc(-c3ccc(=O)n(-c4c(C)cccc4C)c3)c(-c3ccc(F)cc3F)o2)CC1
InChIInChI=1S/C30H31F2N3O3/c1-19-5-4-6-20(2)28(19)35-18-22(7-10-26(35)36)27-29(24-9-8-23(31)17-25(24)32)38-30(33-27)21-11-13-34(14-12-21)15-16-37-3/h4-10,17-18,21H,11-16H2,1-3H3
InChIKeyFIUUQOHBFLEGBQ-UHFFFAOYSA-N
MW519.59 g/mol
LogP5.88
Rot. Bonds7

About 5-[5-(2,4-difluorophenyl)-2-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-oxazol-4-yl]-1-(2,6-dimethylphenyl)pyridin-2-one

5-[5-(2,4-difluorophenyl)-2-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-oxazol-4-yl]-1-(2,6-dimethylphenyl)pyridin-2-one (PubChem CID 68688804) has the molecular formula C30H31F2N3O3 and a molecular weight of 519.59 g/mol. Its IUPAC name is 5-[5-(2,4-difluorophenyl)-2-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-oxazol-4-yl]-1-(2,6-dimethylphenyl)pyridin-2-one.

Molecular Properties

Compound Name5-[5-(2,4-difluorophenyl)-2-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-oxazol-4-yl]-1-(2,6-dimethylphenyl)pyridin-2-one
PubChem CID68688804
Molecular FormulaC30H31F2N3O3
Molecular Weight519.59 g/mol
Exact Mass519.23
IUPAC Name5-[5-(2,4-difluorophenyl)-2-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-oxazol-4-yl]-1-(2,6-dimethylphenyl)pyridin-2-one
SMILESCOCCN1CCC(c2nc(-c3ccc(=O)n(-c4c(C)cccc4C)c3)c(-c3ccc(F)cc3F)o2)CC1
InChIInChI=1S/C30H31F2N3O3/c1-19-5-4-6-20(2)28(19)35-18-22(7-10-26(35)36)27-29(24-9-8-23(31)17-25(24)32)38-30(33-27)21-11-13-34(14-12-21)15-16-37-3/h4-10,17-18,21H,11-16H2,1-3H3
InChIKeyFIUUQOHBFLEGBQ-UHFFFAOYSA-N
XLogP5.88
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.59
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(2,4-difluorophenyl)-2-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-oxazol-4-yl]-1-(2,6-dimethylphenyl)pyridin-2-one?
The IUPAC name of 5-[5-(2,4-difluorophenyl)-2-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-oxazol-4-yl]-1-(2,6-dimethylphenyl)pyridin-2-one (CID 68688804) is 5-[5-(2,4-difluorophenyl)-2-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-oxazol-4-yl]-1-(2,6-dimethylphenyl)pyridin-2-one.
What is the SMILES notation for 5-[5-(2,4-difluorophenyl)-2-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-oxazol-4-yl]-1-(2,6-dimethylphenyl)pyridin-2-one?
The canonical SMILES for 5-[5-(2,4-difluorophenyl)-2-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-oxazol-4-yl]-1-(2,6-dimethylphenyl)pyridin-2-one is COCCN1CCC(c2nc(-c3ccc(=O)n(-c4c(C)cccc4C)c3)c(-c3ccc(F)cc3F)o2)CC1.
What is the InChIKey of 5-[5-(2,4-difluorophenyl)-2-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-oxazol-4-yl]-1-(2,6-dimethylphenyl)pyridin-2-one?
The InChIKey is FIUUQOHBFLEGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F2N3O3/c1-19-5-4-6-20(2)28(19)35-18-22(7-10-26(35)36)27-29(24-9-8-23(31)17-25(24)32)38-30(33-27)21-11-13-34(14-12-21)15-16-37-3/h4-10,17-18,21H,11-16H2,1-3H3.
What are the key properties of 5-[5-(2,4-difluorophenyl)-2-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-oxazol-4-yl]-1-(2,6-dimethylphenyl)pyridin-2-one?
5-[5-(2,4-difluorophenyl)-2-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-oxazol-4-yl]-1-(2,6-dimethylphenyl)pyridin-2-one has a molecular weight of 519.59 g/mol, XLogP of 5.88, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2,4-difluorophenyl)-2-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-oxazol-4-yl]-1-(2,6-dimethylphenyl)pyridin-2-one is sourced from PubChem (CID 68688804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).