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

C22H20N2O3 — CID 42601150

IUPAC5-methyl-3-phenyl-6-(4-propoxyphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-one
SMILESCCCOc1ccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)cc1
InChIInChI=1S/C22H20N2O3/c1-3-13-26-17-11-9-15(10-12-17)18-14-19-20(22(25)24(18)2)21(23-27-19)16-7-5-4-6-8-16/h4-12,14H,3,13H2,1-2H3
InChIKeyIRHUTDKCNPQMPS-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.65
Rot. Bonds5

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

5-methyl-3-phenyl-6-(4-propoxyphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-one (PubChem CID 42601150) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 5-methyl-3-phenyl-6-(4-propoxyphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name5-methyl-3-phenyl-6-(4-propoxyphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-one
PubChem CID42601150
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name5-methyl-3-phenyl-6-(4-propoxyphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-one
SMILESCCCOc1ccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)cc1
InChIInChI=1S/C22H20N2O3/c1-3-13-26-17-11-9-15(10-12-17)18-14-19-20(22(25)24(18)2)21(23-27-19)16-7-5-4-6-8-16/h4-12,14H,3,13H2,1-2H3
InChIKeyIRHUTDKCNPQMPS-UHFFFAOYSA-N
XLogP4.65
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-6-(4-propoxyphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-one?
The IUPAC name of 5-methyl-3-phenyl-6-(4-propoxyphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-one (CID 42601150) is 5-methyl-3-phenyl-6-(4-propoxyphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 5-methyl-3-phenyl-6-(4-propoxyphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 5-methyl-3-phenyl-6-(4-propoxyphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-one is CCCOc1ccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)cc1.
What is the InChIKey of 5-methyl-3-phenyl-6-(4-propoxyphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-one?
The InChIKey is IRHUTDKCNPQMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-3-13-26-17-11-9-15(10-12-17)18-14-19-20(22(25)24(18)2)21(23-27-19)16-7-5-4-6-8-16/h4-12,14H,3,13H2,1-2H3.
What are the key properties of 5-methyl-3-phenyl-6-(4-propoxyphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-one?
5-methyl-3-phenyl-6-(4-propoxyphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-one has a molecular weight of 360.41 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-6-(4-propoxyphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 42601150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).