methyl 4-(5-methyl-4-oxo-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-6-yl)benzoate

C21H16N2O4 — CID 24983127

IUPACmethyl 4-(5-methyl-4-oxo-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-6-yl)benzoate
SMILESCOC(=O)c1ccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)cc1
InChIInChI=1S/C21H16N2O4/c1-23-16(13-8-10-15(11-9-13)21(25)26-2)12-17-18(20(23)24)19(22-27-17)14-6-4-3-5-7-14/h3-12H,1-2H3
InChIKeyIUFFVQQLFWTNOL-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.65
Rot. Bonds3

About methyl 4-(5-methyl-4-oxo-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-6-yl)benzoate

methyl 4-(5-methyl-4-oxo-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-6-yl)benzoate (PubChem CID 24983127) has the molecular formula C21H16N2O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is methyl 4-(5-methyl-4-oxo-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-6-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(5-methyl-4-oxo-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-6-yl)benzoate
PubChem CID24983127
Molecular FormulaC21H16N2O4
Molecular Weight360.37 g/mol
Exact Mass360.11
IUPAC Namemethyl 4-(5-methyl-4-oxo-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-6-yl)benzoate
SMILESCOC(=O)c1ccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)cc1
InChIInChI=1S/C21H16N2O4/c1-23-16(13-8-10-15(11-9-13)21(25)26-2)12-17-18(20(23)24)19(22-27-17)14-6-4-3-5-7-14/h3-12H,1-2H3
InChIKeyIUFFVQQLFWTNOL-UHFFFAOYSA-N
XLogP3.65
TPSA74.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-3,6-diphenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
CID 4250909
6-[4-(2-hydroxyethoxymethyl)phenyl]-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
CID 22015574
5-methyl-6-[3-[methyl(sulfanyl)amino]phenyl]-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
CID 142196312
methyl 2-phenylazulene-6-carboxylate
CID 23257786
methyl 6-(4-methylphenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 29091596
methyl 5-[3,5-bis(4-methoxycarbonyl-3-phenyl-1,2-oxazol-5-yl)phenyl]-3-phenyl-1,2-oxazole-4-carboxylate
CID 71829962
methyl 5-bromo-3-phenyl-1,2-oxazole-4-carboxylate
CID 131453089
methyl 4-(4-phenylphenoxy)benzoate
CID 15230373
methyl 4-(5,7-dimethyl-4,6,17-trioxo-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11,13,15-hexaen-2-yl)benzoate
CID 4860599
methyl 4-(2-oxo-5-phenyl-1,3-dithiol-4-yl)benzoate
CID 86696092
methyl 4-(5-methyl-6-oxo-4-phenyl-1H-pyrimidin-2-yl)benzoate
CID 137316253
methyl 4-(5-methyl-6-oxo-2-phenyl-1H-pyrimidin-4-yl)benzoate
CID 137316255

Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-methyl-4-oxo-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-6-yl)benzoate?
The IUPAC name of methyl 4-(5-methyl-4-oxo-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-6-yl)benzoate (CID 24983127) is methyl 4-(5-methyl-4-oxo-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-6-yl)benzoate.
What is the SMILES notation for methyl 4-(5-methyl-4-oxo-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-6-yl)benzoate?
The canonical SMILES for methyl 4-(5-methyl-4-oxo-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-6-yl)benzoate is COC(=O)c1ccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)cc1.
What is the InChIKey of methyl 4-(5-methyl-4-oxo-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-6-yl)benzoate?
The InChIKey is IUFFVQQLFWTNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4/c1-23-16(13-8-10-15(11-9-13)21(25)26-2)12-17-18(20(23)24)19(22-27-17)14-6-4-3-5-7-14/h3-12H,1-2H3.
What are the key properties of methyl 4-(5-methyl-4-oxo-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-6-yl)benzoate?
methyl 4-(5-methyl-4-oxo-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-6-yl)benzoate has a molecular weight of 360.37 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-methyl-4-oxo-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-6-yl)benzoate is sourced from PubChem (CID 24983127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).