7-[5-(4-chlorophenyl)-2-phenyl-1,3-oxazol-4-yl]-5-(2-trimethylsilylethynyl)-1,7-naphthyridin-8-one

C28H22ClN3O2Si — CID 171098995

IUPAC7-[5-(4-chlorophenyl)-2-phenyl-1,3-oxazol-4-yl]-5-(2-trimethylsilylethynyl)-1,7-naphthyridin-8-one
SMILESC[Si](C)(C)C#Cc1cn(-c2nc(-c3ccccc3)oc2-c2ccc(Cl)cc2)c(=O)c2ncccc12
InChIInChI=1S/C28H22ClN3O2Si/c1-35(2,3)17-15-21-18-32(28(33)24-23(21)10-7-16-30-24)26-25(19-11-13-22(29)14-12-19)34-27(31-26)20-8-5-4-6-9-20/h4-14,16,18H,1-3H3
InChIKeyJXSMQWHEYUODGE-UHFFFAOYSA-N
MW496.04 g/mol
LogP6.59
Rot. Bonds3

About 7-[5-(4-chlorophenyl)-2-phenyl-1,3-oxazol-4-yl]-5-(2-trimethylsilylethynyl)-1,7-naphthyridin-8-one

7-[5-(4-chlorophenyl)-2-phenyl-1,3-oxazol-4-yl]-5-(2-trimethylsilylethynyl)-1,7-naphthyridin-8-one (PubChem CID 171098995) has the molecular formula C28H22ClN3O2Si and a molecular weight of 496.04 g/mol. Its IUPAC name is 7-[5-(4-chlorophenyl)-2-phenyl-1,3-oxazol-4-yl]-5-(2-trimethylsilylethynyl)-1,7-naphthyridin-8-one.

Molecular Properties

Compound Name7-[5-(4-chlorophenyl)-2-phenyl-1,3-oxazol-4-yl]-5-(2-trimethylsilylethynyl)-1,7-naphthyridin-8-one
PubChem CID171098995
Molecular FormulaC28H22ClN3O2Si
Molecular Weight496.04 g/mol
Exact Mass495.12
IUPAC Name7-[5-(4-chlorophenyl)-2-phenyl-1,3-oxazol-4-yl]-5-(2-trimethylsilylethynyl)-1,7-naphthyridin-8-one
SMILESC[Si](C)(C)C#Cc1cn(-c2nc(-c3ccccc3)oc2-c2ccc(Cl)cc2)c(=O)c2ncccc12
InChIInChI=1S/C28H22ClN3O2Si/c1-35(2,3)17-15-21-18-32(28(33)24-23(21)10-7-16-30-24)26-25(19-11-13-22(29)14-12-19)34-27(31-26)20-8-5-4-6-9-20/h4-14,16,18H,1-3H3
InChIKeyJXSMQWHEYUODGE-UHFFFAOYSA-N
XLogP6.59
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.04
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[5-(4-chlorophenyl)-2-phenyl-1,3-oxazol-4-yl]-3-(prop-2-enylideneamino)-5-(2-trimethylsilylethynyl)pyridin-2-one
CID 171099059
2-(4-fluorophenyl)-5-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one
CID 3514283
N-[2-(4-chlorophenyl)-5-phenyl-1,3-oxazol-4-yl]acetamide
CID 14269261
5-bromo-1-[2-(4-fluorophenyl)-5-phenyl-1,3-oxazol-4-yl]pyrimidine-2,4-dione
CID 171098823
2-(4-chlorophenyl)-1,3-benzoxazin-4-one
CID 754553
5-(4-chlorophenyl)-4-(4-methoxyphenyl)-2-phenyl-1,3-oxazole
CID 139183533
4-anilino-1-(2,5-diphenyl-1,3-oxazol-4-yl)-5-methylpyrimidin-2-one
CID 3297198
5-(4-chlorophenyl)-4-(2-methylsulfonylphenyl)-2-phenyl-1,3-oxazole
CID 173207485
5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carbonitrile
CID 10446307
5-chloro-1-methyl-3-phenylpyrido[2,3-g]quinoxalin-2-one
CID 127035059
3-amino-2-(4-chlorophenyl)pyrido[2,3-d]pyrimidin-4-one
CID 71741970
3-(4-chlorophenyl)-2-(7-methylquinolin-8-yl)isoquinolin-1-one
CID 164511180

Frequently Asked Questions

What is the IUPAC name of 7-[5-(4-chlorophenyl)-2-phenyl-1,3-oxazol-4-yl]-5-(2-trimethylsilylethynyl)-1,7-naphthyridin-8-one?
The IUPAC name of 7-[5-(4-chlorophenyl)-2-phenyl-1,3-oxazol-4-yl]-5-(2-trimethylsilylethynyl)-1,7-naphthyridin-8-one (CID 171098995) is 7-[5-(4-chlorophenyl)-2-phenyl-1,3-oxazol-4-yl]-5-(2-trimethylsilylethynyl)-1,7-naphthyridin-8-one.
What is the SMILES notation for 7-[5-(4-chlorophenyl)-2-phenyl-1,3-oxazol-4-yl]-5-(2-trimethylsilylethynyl)-1,7-naphthyridin-8-one?
The canonical SMILES for 7-[5-(4-chlorophenyl)-2-phenyl-1,3-oxazol-4-yl]-5-(2-trimethylsilylethynyl)-1,7-naphthyridin-8-one is C[Si](C)(C)C#Cc1cn(-c2nc(-c3ccccc3)oc2-c2ccc(Cl)cc2)c(=O)c2ncccc12.
What is the InChIKey of 7-[5-(4-chlorophenyl)-2-phenyl-1,3-oxazol-4-yl]-5-(2-trimethylsilylethynyl)-1,7-naphthyridin-8-one?
The InChIKey is JXSMQWHEYUODGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22ClN3O2Si/c1-35(2,3)17-15-21-18-32(28(33)24-23(21)10-7-16-30-24)26-25(19-11-13-22(29)14-12-19)34-27(31-26)20-8-5-4-6-9-20/h4-14,16,18H,1-3H3.
What are the key properties of 7-[5-(4-chlorophenyl)-2-phenyl-1,3-oxazol-4-yl]-5-(2-trimethylsilylethynyl)-1,7-naphthyridin-8-one?
7-[5-(4-chlorophenyl)-2-phenyl-1,3-oxazol-4-yl]-5-(2-trimethylsilylethynyl)-1,7-naphthyridin-8-one has a molecular weight of 496.04 g/mol, XLogP of 6.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(4-chlorophenyl)-2-phenyl-1,3-oxazol-4-yl]-5-(2-trimethylsilylethynyl)-1,7-naphthyridin-8-one is sourced from PubChem (CID 171098995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).