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

C27H25ClF2N2O4 — CID 67254733

IUPAC1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-(1,3-dimethoxypropan-2-yl)-1,3-oxazol-4-yl]pyridin-2-one
SMILESCOCC(COC)c1nc(-c2ccc(=O)n(-c3c(C)cc(Cl)cc3C)c2)c(-c2ccc(F)cc2F)o1
InChIInChI=1S/C27H25ClF2N2O4/c1-15-9-19(28)10-16(2)25(15)32-12-17(5-8-23(32)33)24-26(21-7-6-20(29)11-22(21)30)36-27(31-24)18(13-34-3)14-35-4/h5-12,18H,13-14H2,1-4H3
InChIKeyMSTXLWIBNZSPGN-UHFFFAOYSA-N
MW514.96 g/mol
LogP6.08
Rot. Bonds8

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

1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-(1,3-dimethoxypropan-2-yl)-1,3-oxazol-4-yl]pyridin-2-one (PubChem CID 67254733) has the molecular formula C27H25ClF2N2O4 and a molecular weight of 514.96 g/mol. Its IUPAC name is 1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-(1,3-dimethoxypropan-2-yl)-1,3-oxazol-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-(1,3-dimethoxypropan-2-yl)-1,3-oxazol-4-yl]pyridin-2-one
PubChem CID67254733
Molecular FormulaC27H25ClF2N2O4
Molecular Weight514.96 g/mol
Exact Mass514.15
IUPAC Name1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-(1,3-dimethoxypropan-2-yl)-1,3-oxazol-4-yl]pyridin-2-one
SMILESCOCC(COC)c1nc(-c2ccc(=O)n(-c3c(C)cc(Cl)cc3C)c2)c(-c2ccc(F)cc2F)o1
InChIInChI=1S/C27H25ClF2N2O4/c1-15-9-19(28)10-16(2)25(15)32-12-17(5-8-23(32)33)24-26(21-7-6-20(29)11-22(21)30)36-27(31-24)18(13-34-3)14-35-4/h5-12,18H,13-14H2,1-4H3
InChIKeyMSTXLWIBNZSPGN-UHFFFAOYSA-N
XLogP6.08
TPSA66.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.96
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-(1,3-dimethoxypropan-2-yl)-1,3-oxazol-4-yl]pyridin-2-one?
The IUPAC name of 1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-(1,3-dimethoxypropan-2-yl)-1,3-oxazol-4-yl]pyridin-2-one (CID 67254733) is 1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-(1,3-dimethoxypropan-2-yl)-1,3-oxazol-4-yl]pyridin-2-one.
What is the SMILES notation for 1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-(1,3-dimethoxypropan-2-yl)-1,3-oxazol-4-yl]pyridin-2-one?
The canonical SMILES for 1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-(1,3-dimethoxypropan-2-yl)-1,3-oxazol-4-yl]pyridin-2-one is COCC(COC)c1nc(-c2ccc(=O)n(-c3c(C)cc(Cl)cc3C)c2)c(-c2ccc(F)cc2F)o1.
What is the InChIKey of 1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-(1,3-dimethoxypropan-2-yl)-1,3-oxazol-4-yl]pyridin-2-one?
The InChIKey is MSTXLWIBNZSPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClF2N2O4/c1-15-9-19(28)10-16(2)25(15)32-12-17(5-8-23(32)33)24-26(21-7-6-20(29)11-22(21)30)36-27(31-24)18(13-34-3)14-35-4/h5-12,18H,13-14H2,1-4H3.
What are the key properties of 1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-(1,3-dimethoxypropan-2-yl)-1,3-oxazol-4-yl]pyridin-2-one?
1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-(1,3-dimethoxypropan-2-yl)-1,3-oxazol-4-yl]pyridin-2-one has a molecular weight of 514.96 g/mol, XLogP of 6.08, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-(1,3-dimethoxypropan-2-yl)-1,3-oxazol-4-yl]pyridin-2-one is sourced from PubChem (CID 67254733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).