5-(5-chloro-1,3-benzoxazol-2-yl)-3-(2-chlorophenyl)-1-phenylpyridin-2-one

C24H14Cl2N2O2 — CID 22319164

IUPAC5-(5-chloro-1,3-benzoxazol-2-yl)-3-(2-chlorophenyl)-1-phenylpyridin-2-one
SMILESO=c1c(-c2ccccc2Cl)cc(-c2nc3cc(Cl)ccc3o2)cn1-c1ccccc1
InChIInChI=1S/C24H14Cl2N2O2/c25-16-10-11-22-21(13-16)27-23(30-22)15-12-19(18-8-4-5-9-20(18)26)24(29)28(14-15)17-6-2-1-3-7-17/h1-14H
InChIKeyNACJWECKTQBPBW-UHFFFAOYSA-N
MW433.29 g/mol
LogP6.62
Rot. Bonds3

About 5-(5-chloro-1,3-benzoxazol-2-yl)-3-(2-chlorophenyl)-1-phenylpyridin-2-one

5-(5-chloro-1,3-benzoxazol-2-yl)-3-(2-chlorophenyl)-1-phenylpyridin-2-one (PubChem CID 22319164) has the molecular formula C24H14Cl2N2O2 and a molecular weight of 433.29 g/mol. Its IUPAC name is 5-(5-chloro-1,3-benzoxazol-2-yl)-3-(2-chlorophenyl)-1-phenylpyridin-2-one.

Molecular Properties

Compound Name5-(5-chloro-1,3-benzoxazol-2-yl)-3-(2-chlorophenyl)-1-phenylpyridin-2-one
PubChem CID22319164
Molecular FormulaC24H14Cl2N2O2
Molecular Weight433.29 g/mol
Exact Mass432.04
IUPAC Name5-(5-chloro-1,3-benzoxazol-2-yl)-3-(2-chlorophenyl)-1-phenylpyridin-2-one
SMILESO=c1c(-c2ccccc2Cl)cc(-c2nc3cc(Cl)ccc3o2)cn1-c1ccccc1
InChIInChI=1S/C24H14Cl2N2O2/c25-16-10-11-22-21(13-16)27-23(30-22)15-12-19(18-8-4-5-9-20(18)26)24(29)28(14-15)17-6-2-1-3-7-17/h1-14H
InChIKeyNACJWECKTQBPBW-UHFFFAOYSA-N
XLogP6.62
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.29
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-1,3-benzoxazol-2-yl)-3-(2-chlorophenyl)-1-phenylpyridin-2-one?
The IUPAC name of 5-(5-chloro-1,3-benzoxazol-2-yl)-3-(2-chlorophenyl)-1-phenylpyridin-2-one (CID 22319164) is 5-(5-chloro-1,3-benzoxazol-2-yl)-3-(2-chlorophenyl)-1-phenylpyridin-2-one.
What is the SMILES notation for 5-(5-chloro-1,3-benzoxazol-2-yl)-3-(2-chlorophenyl)-1-phenylpyridin-2-one?
The canonical SMILES for 5-(5-chloro-1,3-benzoxazol-2-yl)-3-(2-chlorophenyl)-1-phenylpyridin-2-one is O=c1c(-c2ccccc2Cl)cc(-c2nc3cc(Cl)ccc3o2)cn1-c1ccccc1.
What is the InChIKey of 5-(5-chloro-1,3-benzoxazol-2-yl)-3-(2-chlorophenyl)-1-phenylpyridin-2-one?
The InChIKey is NACJWECKTQBPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl2N2O2/c25-16-10-11-22-21(13-16)27-23(30-22)15-12-19(18-8-4-5-9-20(18)26)24(29)28(14-15)17-6-2-1-3-7-17/h1-14H.
What are the key properties of 5-(5-chloro-1,3-benzoxazol-2-yl)-3-(2-chlorophenyl)-1-phenylpyridin-2-one?
5-(5-chloro-1,3-benzoxazol-2-yl)-3-(2-chlorophenyl)-1-phenylpyridin-2-one has a molecular weight of 433.29 g/mol, XLogP of 6.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-1,3-benzoxazol-2-yl)-3-(2-chlorophenyl)-1-phenylpyridin-2-one is sourced from PubChem (CID 22319164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).