6-[3-(dimethylamino)phenyl]-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one

C21H19N3O2 — CID 22137731

IUPAC6-[3-(dimethylamino)phenyl]-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
SMILESCN(C)c1cccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)c1
InChIInChI=1S/C21H19N3O2/c1-23(2)16-11-7-10-15(12-16)17-13-18-19(21(25)24(17)3)20(22-26-18)14-8-5-4-6-9-14/h4-13H,1-3H3
InChIKeyIKUFYBIIBBPPDR-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.93
Rot. Bonds3

About 6-[3-(dimethylamino)phenyl]-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one

6-[3-(dimethylamino)phenyl]-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one (PubChem CID 22137731) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 6-[3-(dimethylamino)phenyl]-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name6-[3-(dimethylamino)phenyl]-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
PubChem CID22137731
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name6-[3-(dimethylamino)phenyl]-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
SMILESCN(C)c1cccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)c1
InChIInChI=1S/C21H19N3O2/c1-23(2)16-11-7-10-15(12-16)17-13-18-19(21(25)24(17)3)20(22-26-18)14-8-5-4-6-9-14/h4-13H,1-3H3
InChIKeyIKUFYBIIBBPPDR-UHFFFAOYSA-N
XLogP3.93
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)phenyl]-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
The IUPAC name of 6-[3-(dimethylamino)phenyl]-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one (CID 22137731) is 6-[3-(dimethylamino)phenyl]-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 6-[3-(dimethylamino)phenyl]-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 6-[3-(dimethylamino)phenyl]-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one is CN(C)c1cccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)c1.
What is the InChIKey of 6-[3-(dimethylamino)phenyl]-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
The InChIKey is IKUFYBIIBBPPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-23(2)16-11-7-10-15(12-16)17-13-18-19(21(25)24(17)3)20(22-26-18)14-8-5-4-6-9-14/h4-13H,1-3H3.
What are the key properties of 6-[3-(dimethylamino)phenyl]-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
6-[3-(dimethylamino)phenyl]-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one has a molecular weight of 345.40 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)phenyl]-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 22137731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).