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

C15H11FN2O3 — CID 4804070

IUPACmethyl 6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2F)nc2onc(C)c12
InChIInChI=1S/C15H11FN2O3/c1-8-13-10(15(19)20-2)7-12(17-14(13)21-18-8)9-5-3-4-6-11(9)16/h3-7H,1-2H3
InChIKeyIYTBSSRZXQMPJC-UHFFFAOYSA-N
MW286.26 g/mol
LogP3.12
Rot. Bonds2

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

methyl 6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 4804070) has the molecular formula C15H11FN2O3 and a molecular weight of 286.26 g/mol. Its IUPAC name is methyl 6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
PubChem CID4804070
Molecular FormulaC15H11FN2O3
Molecular Weight286.26 g/mol
Exact Mass286.08
IUPAC Namemethyl 6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2F)nc2onc(C)c12
InChIInChI=1S/C15H11FN2O3/c1-8-13-10(15(19)20-2)7-12(17-14(13)21-18-8)9-5-3-4-6-11(9)16/h3-7H,1-2H3
InChIKeyIYTBSSRZXQMPJC-UHFFFAOYSA-N
XLogP3.12
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate with MolForge

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Related Compounds

3-Methyl-6-phenyl-4-(trifluoromethyl)isoxazolo(5,4-B)pyridine
CID 2324446
3,6-Dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 16227229
Ethyl 6-(1,3-benzodioxol-5-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 2091082
3-Methyl-6-thiophen-2-yl-4-isoxazolo[5,4-b]pyridinecarboxylic acid ethyl ester
CID 2125372
6-cyclopropyl-3-methyl-N-[3-(trifluoromethyl)phenyl][1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 25980030
6-Cyclopropyl-3-(propan-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 16443415
6-Cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 16786537
Ethyl 3-methyl-[1,2]oxazolo[5,4-b]pyridine-6-carboxylate
CID 17535124
6-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-piperidin-4-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134790892
(6-Cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-morpholin-4-ylmethanone
CID 72027636
3-Methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 16227350
3-Cyclopropyl-6-(4-fluorophenyl)-(1,2)oxazolo(5,4-b)pyridine-4-carboxylic acid
CID 16785824

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of methyl 6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (CID 4804070) is methyl 6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for methyl 6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for methyl 6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is COC(=O)c1cc(-c2ccccc2F)nc2onc(C)c12.
What is the InChIKey of methyl 6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is IYTBSSRZXQMPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O3/c1-8-13-10(15(19)20-2)7-12(17-14(13)21-18-8)9-5-3-4-6-11(9)16/h3-7H,1-2H3.
What are the key properties of methyl 6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
methyl 6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 286.26 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 4804070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).