6-[3-[2-(1,3-oxazol-5-yl)thiophen-3-yl]phenyl]-5-pyridin-2-yl-1H-pyridin-2-one

C23H15N3O2S — CID 68740040

IUPAC6-[3-[2-(1,3-oxazol-5-yl)thiophen-3-yl]phenyl]-5-pyridin-2-yl-1H-pyridin-2-one
SMILESO=c1ccc(-c2ccccn2)c(-c2cccc(-c3ccsc3-c3cnco3)c2)[nH]1
InChIInChI=1S/C23H15N3O2S/c27-21-8-7-18(19-6-1-2-10-25-19)22(26-21)16-5-3-4-15(12-16)17-9-11-29-23(17)20-13-24-14-28-20/h1-14H,(H,26,27)
InChIKeyRKEHFMWDPFIBJM-UHFFFAOYSA-N
MW397.46 g/mol
LogP5.49
Rot. Bonds4

About 6-[3-[2-(1,3-oxazol-5-yl)thiophen-3-yl]phenyl]-5-pyridin-2-yl-1H-pyridin-2-one

6-[3-[2-(1,3-oxazol-5-yl)thiophen-3-yl]phenyl]-5-pyridin-2-yl-1H-pyridin-2-one (PubChem CID 68740040) has the molecular formula C23H15N3O2S and a molecular weight of 397.46 g/mol. Its IUPAC name is 6-[3-[2-(1,3-oxazol-5-yl)thiophen-3-yl]phenyl]-5-pyridin-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[3-[2-(1,3-oxazol-5-yl)thiophen-3-yl]phenyl]-5-pyridin-2-yl-1H-pyridin-2-one
PubChem CID68740040
Molecular FormulaC23H15N3O2S
Molecular Weight397.46 g/mol
Exact Mass397.09
IUPAC Name6-[3-[2-(1,3-oxazol-5-yl)thiophen-3-yl]phenyl]-5-pyridin-2-yl-1H-pyridin-2-one
SMILESO=c1ccc(-c2ccccn2)c(-c2cccc(-c3ccsc3-c3cnco3)c2)[nH]1
InChIInChI=1S/C23H15N3O2S/c27-21-8-7-18(19-6-1-2-10-25-19)22(26-21)16-5-3-4-15(12-16)17-9-11-29-23(17)20-13-24-14-28-20/h1-14H,(H,26,27)
InChIKeyRKEHFMWDPFIBJM-UHFFFAOYSA-N
XLogP5.49
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.46
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(Pyridin-2-yl)-1,3-oxazol-2-yl]-7-(thiophen-2-yl)heptan-1-one
CID 16735862
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(4-(phenylthio)phenyl)propane
CID 16736009
1-[5-(Pyridin-2-yl)-1,3-oxazol-2-yl]-7-(thiophen-3-yl)heptan-1-one
CID 16736616
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(3-(methylthio)phenyl)heptane
CID 16736629
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(4-(methylthio)phenyl)heptane
CID 16736630
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(2-(methylthio)phenyl)heptane
CID 16738134
N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide
CID 56601742
5-Phenyl-2-(thiophen-2-YL)oxazole
CID 4303653
2,6-Difluoro-N-[5-(2-methyl-5-oxazol-2-yl-phenyl)-thiophen-2-yl]-benzamide
CID 11639836
N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-carboxamide
CID 56601942
2,6-Difluoro-N-[5-(3-oxazol-5-yl-phenyl)-thiophen-2-yl]-benzamide
CID 58703376
(5S)-5-[3-fluoro-5-[2-(1,3-oxazol-5-yl)-4-pyridinyl]thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 74222959

Frequently Asked Questions

What is the IUPAC name of 6-[3-[2-(1,3-oxazol-5-yl)thiophen-3-yl]phenyl]-5-pyridin-2-yl-1H-pyridin-2-one?
The IUPAC name of 6-[3-[2-(1,3-oxazol-5-yl)thiophen-3-yl]phenyl]-5-pyridin-2-yl-1H-pyridin-2-one (CID 68740040) is 6-[3-[2-(1,3-oxazol-5-yl)thiophen-3-yl]phenyl]-5-pyridin-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 6-[3-[2-(1,3-oxazol-5-yl)thiophen-3-yl]phenyl]-5-pyridin-2-yl-1H-pyridin-2-one?
The canonical SMILES for 6-[3-[2-(1,3-oxazol-5-yl)thiophen-3-yl]phenyl]-5-pyridin-2-yl-1H-pyridin-2-one is O=c1ccc(-c2ccccn2)c(-c2cccc(-c3ccsc3-c3cnco3)c2)[nH]1.
What is the InChIKey of 6-[3-[2-(1,3-oxazol-5-yl)thiophen-3-yl]phenyl]-5-pyridin-2-yl-1H-pyridin-2-one?
The InChIKey is RKEHFMWDPFIBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3O2S/c27-21-8-7-18(19-6-1-2-10-25-19)22(26-21)16-5-3-4-15(12-16)17-9-11-29-23(17)20-13-24-14-28-20/h1-14H,(H,26,27).
What are the key properties of 6-[3-[2-(1,3-oxazol-5-yl)thiophen-3-yl]phenyl]-5-pyridin-2-yl-1H-pyridin-2-one?
6-[3-[2-(1,3-oxazol-5-yl)thiophen-3-yl]phenyl]-5-pyridin-2-yl-1H-pyridin-2-one has a molecular weight of 397.46 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[2-(1,3-oxazol-5-yl)thiophen-3-yl]phenyl]-5-pyridin-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 68740040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).