5-(2,5-dimethylpyrimidin-4-yl)-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

C22H20N4O — CID 56739620

IUPAC5-(2,5-dimethylpyrimidin-4-yl)-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCc1ncc(C)c(N2CCc3onc(-c4cccc5ccccc45)c3C2)n1
InChIInChI=1S/C22H20N4O/c1-14-12-23-15(2)24-22(14)26-11-10-20-19(13-26)21(25-27-20)18-9-5-7-16-6-3-4-8-17(16)18/h3-9,12H,10-11,13H2,1-2H3
InChIKeyJMQOOZAEBJSHCS-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.46
Rot. Bonds2

About 5-(2,5-dimethylpyrimidin-4-yl)-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

5-(2,5-dimethylpyrimidin-4-yl)-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 56739620) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 5-(2,5-dimethylpyrimidin-4-yl)-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(2,5-dimethylpyrimidin-4-yl)-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID56739620
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name5-(2,5-dimethylpyrimidin-4-yl)-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCc1ncc(C)c(N2CCc3onc(-c4cccc5ccccc45)c3C2)n1
InChIInChI=1S/C22H20N4O/c1-14-12-23-15(2)24-22(14)26-11-10-20-19(13-26)21(25-27-20)18-9-5-7-16-6-3-4-8-17(16)18/h3-9,12H,10-11,13H2,1-2H3
InChIKeyJMQOOZAEBJSHCS-UHFFFAOYSA-N
XLogP4.46
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylpyrimidin-4-yl)-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 5-(2,5-dimethylpyrimidin-4-yl)-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 56739620) is 5-(2,5-dimethylpyrimidin-4-yl)-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 5-(2,5-dimethylpyrimidin-4-yl)-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 5-(2,5-dimethylpyrimidin-4-yl)-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is Cc1ncc(C)c(N2CCc3onc(-c4cccc5ccccc45)c3C2)n1.
What is the InChIKey of 5-(2,5-dimethylpyrimidin-4-yl)-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is JMQOOZAEBJSHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-14-12-23-15(2)24-22(14)26-11-10-20-19(13-26)21(25-27-20)18-9-5-7-16-6-3-4-8-17(16)18/h3-9,12H,10-11,13H2,1-2H3.
What are the key properties of 5-(2,5-dimethylpyrimidin-4-yl)-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
5-(2,5-dimethylpyrimidin-4-yl)-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 356.43 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylpyrimidin-4-yl)-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 56739620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).