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

C20H16N2O2 — CID 22015567

IUPAC5-methyl-6-(4-methylphenyl)-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
SMILESCc1ccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)cc1
InChIInChI=1S/C20H16N2O2/c1-13-8-10-14(11-9-13)16-12-17-18(20(23)22(16)2)19(21-24-17)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyBESWQYUOFDGBAT-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.17
Rot. Bonds2

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

5-methyl-6-(4-methylphenyl)-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one (PubChem CID 22015567) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 5-methyl-6-(4-methylphenyl)-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name5-methyl-6-(4-methylphenyl)-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
PubChem CID22015567
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name5-methyl-6-(4-methylphenyl)-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
SMILESCc1ccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)cc1
InChIInChI=1S/C20H16N2O2/c1-13-8-10-14(11-9-13)16-12-17-18(20(23)22(16)2)19(21-24-17)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyBESWQYUOFDGBAT-UHFFFAOYSA-N
XLogP4.17
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(4-methylphenyl)-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
The IUPAC name of 5-methyl-6-(4-methylphenyl)-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one (CID 22015567) is 5-methyl-6-(4-methylphenyl)-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 5-methyl-6-(4-methylphenyl)-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 5-methyl-6-(4-methylphenyl)-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one is Cc1ccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)cc1.
What is the InChIKey of 5-methyl-6-(4-methylphenyl)-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
The InChIKey is BESWQYUOFDGBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-13-8-10-14(11-9-13)16-12-17-18(20(23)22(16)2)19(21-24-17)15-6-4-3-5-7-15/h3-12H,1-2H3.
What are the key properties of 5-methyl-6-(4-methylphenyl)-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
5-methyl-6-(4-methylphenyl)-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one has a molecular weight of 316.36 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(4-methylphenyl)-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 22015567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).