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

C24H19ClF2N2O4 — CID 67254872

IUPAC1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-[(1S)-1,2-dihydroxyethyl]-1,3-oxazol-4-yl]pyridin-2-one
SMILESCc1cc(Cl)cc(C)c1-n1cc(-c2nc([C@@H](O)CO)oc2-c2ccc(F)cc2F)ccc1=O
InChIInChI=1S/C24H19ClF2N2O4/c1-12-7-15(25)8-13(2)22(12)29-10-14(3-6-20(29)32)21-23(33-24(28-21)19(31)11-30)17-5-4-16(26)9-18(17)27/h3-10,19,30-31H,11H2,1-2H3/t19-/m0/s1
InChIKeyVXHLDRNNOWGIGT-IBGZPJMESA-N
MW472.88 g/mol
LogP4.73
Rot. Bonds5

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

1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-[(1S)-1,2-dihydroxyethyl]-1,3-oxazol-4-yl]pyridin-2-one (PubChem CID 67254872) has the molecular formula C24H19ClF2N2O4 and a molecular weight of 472.88 g/mol. Its IUPAC name is 1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-[(1S)-1,2-dihydroxyethyl]-1,3-oxazol-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-[(1S)-1,2-dihydroxyethyl]-1,3-oxazol-4-yl]pyridin-2-one
PubChem CID67254872
Molecular FormulaC24H19ClF2N2O4
Molecular Weight472.88 g/mol
Exact Mass472.10
IUPAC Name1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-[(1S)-1,2-dihydroxyethyl]-1,3-oxazol-4-yl]pyridin-2-one
SMILESCc1cc(Cl)cc(C)c1-n1cc(-c2nc([C@@H](O)CO)oc2-c2ccc(F)cc2F)ccc1=O
InChIInChI=1S/C24H19ClF2N2O4/c1-12-7-15(25)8-13(2)22(12)29-10-14(3-6-20(29)32)21-23(33-24(28-21)19(31)11-30)17-5-4-16(26)9-18(17)27/h3-10,19,30-31H,11H2,1-2H3/t19-/m0/s1
InChIKeyVXHLDRNNOWGIGT-IBGZPJMESA-N
XLogP4.73
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.88
LogP ≤ 54.73
H-Bond Donors ≤ 52
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-[(1S)-1,2-dihydroxyethyl]-1,3-oxazol-4-yl]pyridin-2-one?
The IUPAC name of 1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-[(1S)-1,2-dihydroxyethyl]-1,3-oxazol-4-yl]pyridin-2-one (CID 67254872) is 1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-[(1S)-1,2-dihydroxyethyl]-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-[(1S)-1,2-dihydroxyethyl]-1,3-oxazol-4-yl]pyridin-2-one?
The canonical SMILES for 1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-[(1S)-1,2-dihydroxyethyl]-1,3-oxazol-4-yl]pyridin-2-one is Cc1cc(Cl)cc(C)c1-n1cc(-c2nc([C@@H](O)CO)oc2-c2ccc(F)cc2F)ccc1=O.
What is the InChIKey of 1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-[(1S)-1,2-dihydroxyethyl]-1,3-oxazol-4-yl]pyridin-2-one?
The InChIKey is VXHLDRNNOWGIGT-IBGZPJMESA-N. The full InChI is InChI=1S/C24H19ClF2N2O4/c1-12-7-15(25)8-13(2)22(12)29-10-14(3-6-20(29)32)21-23(33-24(28-21)19(31)11-30)17-5-4-16(26)9-18(17)27/h3-10,19,30-31H,11H2,1-2H3/t19-/m0/s1.
What are the key properties of 1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-[(1S)-1,2-dihydroxyethyl]-1,3-oxazol-4-yl]pyridin-2-one?
1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-[(1S)-1,2-dihydroxyethyl]-1,3-oxazol-4-yl]pyridin-2-one has a molecular weight of 472.88 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 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-[(1S)-1,2-dihydroxyethyl]-1,3-oxazol-4-yl]pyridin-2-one is sourced from PubChem (CID 67254872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).