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

C26H21ClF2N2O3 — CID 67256253

IUPAC1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-[(2R)-oxolan-2-yl]-1,3-oxazol-4-yl]pyridin-2-one
SMILESCc1cc(Cl)cc(C)c1-n1cc(-c2nc([C@H]3CCCO3)oc2-c2ccc(F)cc2F)ccc1=O
InChIInChI=1S/C26H21ClF2N2O3/c1-14-10-17(27)11-15(2)24(14)31-13-16(5-8-22(31)32)23-25(19-7-6-18(28)12-20(19)29)34-26(30-23)21-4-3-9-33-21/h5-8,10-13,21H,3-4,9H2,1-2H3/t21-/m1/s1
InChIKeyIYEHBKVQZKSHLR-OAQYLSRUSA-N
MW482.91 g/mol
LogP6.56
Rot. Bonds4

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

1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-[(2R)-oxolan-2-yl]-1,3-oxazol-4-yl]pyridin-2-one (PubChem CID 67256253) has the molecular formula C26H21ClF2N2O3 and a molecular weight of 482.91 g/mol. Its IUPAC name is 1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-[(2R)-oxolan-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-[(2R)-oxolan-2-yl]-1,3-oxazol-4-yl]pyridin-2-one
PubChem CID67256253
Molecular FormulaC26H21ClF2N2O3
Molecular Weight482.91 g/mol
Exact Mass482.12
IUPAC Name1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-[(2R)-oxolan-2-yl]-1,3-oxazol-4-yl]pyridin-2-one
SMILESCc1cc(Cl)cc(C)c1-n1cc(-c2nc([C@H]3CCCO3)oc2-c2ccc(F)cc2F)ccc1=O
InChIInChI=1S/C26H21ClF2N2O3/c1-14-10-17(27)11-15(2)24(14)31-13-16(5-8-22(31)32)23-25(19-7-6-18(28)12-20(19)29)34-26(30-23)21-4-3-9-33-21/h5-8,10-13,21H,3-4,9H2,1-2H3/t21-/m1/s1
InChIKeyIYEHBKVQZKSHLR-OAQYLSRUSA-N
XLogP6.56
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.91
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-[(2R)-oxolan-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-[(2R)-oxolan-2-yl]-1,3-oxazol-4-yl]pyridin-2-one (CID 67256253) is 1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-[(2R)-oxolan-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-[(2R)-oxolan-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-[(2R)-oxolan-2-yl]-1,3-oxazol-4-yl]pyridin-2-one is Cc1cc(Cl)cc(C)c1-n1cc(-c2nc([C@H]3CCCO3)oc2-c2ccc(F)cc2F)ccc1=O.
What is the InChIKey of 1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-[(2R)-oxolan-2-yl]-1,3-oxazol-4-yl]pyridin-2-one?
The InChIKey is IYEHBKVQZKSHLR-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H21ClF2N2O3/c1-14-10-17(27)11-15(2)24(14)31-13-16(5-8-22(31)32)23-25(19-7-6-18(28)12-20(19)29)34-26(30-23)21-4-3-9-33-21/h5-8,10-13,21H,3-4,9H2,1-2H3/t21-/m1/s1.
What are the key properties of 1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-[(2R)-oxolan-2-yl]-1,3-oxazol-4-yl]pyridin-2-one?
1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-[(2R)-oxolan-2-yl]-1,3-oxazol-4-yl]pyridin-2-one has a molecular weight of 482.91 g/mol, XLogP of 6.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-[(2R)-oxolan-2-yl]-1,3-oxazol-4-yl]pyridin-2-one is sourced from PubChem (CID 67256253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).