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

C22H20N2O3 — CID 22137724

IUPAC5-methyl-3-phenyl-6-(4-propan-2-yloxyphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-one
SMILESCC(C)Oc1ccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)cc1
InChIInChI=1S/C22H20N2O3/c1-14(2)26-17-11-9-15(10-12-17)18-13-19-20(22(25)24(18)3)21(23-27-19)16-7-5-4-6-8-16/h4-14H,1-3H3
InChIKeyABROVZYHTDQYCK-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.65
Rot. Bonds4

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

5-methyl-3-phenyl-6-(4-propan-2-yloxyphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-one (PubChem CID 22137724) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 5-methyl-3-phenyl-6-(4-propan-2-yloxyphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name5-methyl-3-phenyl-6-(4-propan-2-yloxyphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-one
PubChem CID22137724
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name5-methyl-3-phenyl-6-(4-propan-2-yloxyphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-one
SMILESCC(C)Oc1ccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)cc1
InChIInChI=1S/C22H20N2O3/c1-14(2)26-17-11-9-15(10-12-17)18-13-19-20(22(25)24(18)3)21(23-27-19)16-7-5-4-6-8-16/h4-14H,1-3H3
InChIKeyABROVZYHTDQYCK-UHFFFAOYSA-N
XLogP4.65
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
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-propan-2-yloxyphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-one?
The IUPAC name of 5-methyl-3-phenyl-6-(4-propan-2-yloxyphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-one (CID 22137724) is 5-methyl-3-phenyl-6-(4-propan-2-yloxyphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 5-methyl-3-phenyl-6-(4-propan-2-yloxyphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 5-methyl-3-phenyl-6-(4-propan-2-yloxyphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-one is CC(C)Oc1ccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)cc1.
What is the InChIKey of 5-methyl-3-phenyl-6-(4-propan-2-yloxyphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-one?
The InChIKey is ABROVZYHTDQYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-14(2)26-17-11-9-15(10-12-17)18-13-19-20(22(25)24(18)3)21(23-27-19)16-7-5-4-6-8-16/h4-14H,1-3H3.
What are the key properties of 5-methyl-3-phenyl-6-(4-propan-2-yloxyphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-one?
5-methyl-3-phenyl-6-(4-propan-2-yloxyphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-one has a molecular weight of 360.41 g/mol, XLogP of 4.65, 4 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-propan-2-yloxyphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 22137724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).