methyl 6-(4-methylphenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

C21H16N2O3 — CID 29091596

IUPACmethyl 6-(4-methylphenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(C)cc2)nc2onc(-c3ccccc3)c12
InChIInChI=1S/C21H16N2O3/c1-13-8-10-14(11-9-13)17-12-16(21(24)25-2)18-19(23-26-20(18)22-17)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyLNRPGTXTNKEBOC-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.65
Rot. Bonds3

About methyl 6-(4-methylphenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

methyl 6-(4-methylphenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 29091596) has the molecular formula C21H16N2O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is methyl 6-(4-methylphenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-methylphenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
PubChem CID29091596
Molecular FormulaC21H16N2O3
Molecular Weight344.37 g/mol
Exact Mass344.12
IUPAC Namemethyl 6-(4-methylphenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(C)cc2)nc2onc(-c3ccccc3)c12
InChIInChI=1S/C21H16N2O3/c1-13-8-10-14(11-9-13)17-12-16(21(24)25-2)18-19(23-26-20(18)22-17)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyLNRPGTXTNKEBOC-UHFFFAOYSA-N
XLogP4.65
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(4-methylphenyl)-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone
CID 171315340
3-(4-fluorophenyl)-N-(2-methoxyethyl)-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824377
methyl 6-(4-chlorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 9120689
methyl 2-methyl-3-[(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate
CID 24684252
N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824388
2-hydroxyethyl 3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 71943087
propyl 3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46542963
methyl 2-[[6-(furan-2-yl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]acetate
CID 44824411
6-(2-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 29091420
3-(4-methylphenyl)-N-propan-2-yl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315509
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(4-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824316
6-(furan-2-yl)-N-(5-methyl-2-pyridinyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 19615714

Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-methylphenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of methyl 6-(4-methylphenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (CID 29091596) is methyl 6-(4-methylphenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for methyl 6-(4-methylphenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for methyl 6-(4-methylphenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is COC(=O)c1cc(-c2ccc(C)cc2)nc2onc(-c3ccccc3)c12.
What is the InChIKey of methyl 6-(4-methylphenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is LNRPGTXTNKEBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3/c1-13-8-10-14(11-9-13)17-12-16(21(24)25-2)18-19(23-26-20(18)22-17)15-6-4-3-5-7-15/h3-12H,1-2H3.
What are the key properties of methyl 6-(4-methylphenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
methyl 6-(4-methylphenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 344.37 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-methylphenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 29091596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).