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

C17H13FN2O3 — CID 25247929

IUPACmethyl 6-cyclopropyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(C2CC2)nc2onc(-c3ccc(F)cc3)c12
InChIInChI=1S/C17H13FN2O3/c1-22-17(21)12-8-13(9-2-3-9)19-16-14(12)15(20-23-16)10-4-6-11(18)7-5-10/h4-9H,2-3H2,1H3
InChIKeyARLPCHLXNBOIOV-UHFFFAOYSA-N
MW312.30 g/mol
LogP3.69
Rot. Bonds3

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

methyl 6-cyclopropyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 25247929) has the molecular formula C17H13FN2O3 and a molecular weight of 312.30 g/mol. Its IUPAC name is methyl 6-cyclopropyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-cyclopropyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
PubChem CID25247929
Molecular FormulaC17H13FN2O3
Molecular Weight312.30 g/mol
Exact Mass312.09
IUPAC Namemethyl 6-cyclopropyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(C2CC2)nc2onc(-c3ccc(F)cc3)c12
InChIInChI=1S/C17H13FN2O3/c1-22-17(21)12-8-13(9-2-3-9)19-16-14(12)15(20-23-16)10-4-6-11(18)7-5-10/h4-9H,2-3H2,1H3
InChIKeyARLPCHLXNBOIOV-UHFFFAOYSA-N
XLogP3.69
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-cyclopropyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of methyl 6-cyclopropyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (CID 25247929) is methyl 6-cyclopropyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for methyl 6-cyclopropyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for methyl 6-cyclopropyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is COC(=O)c1cc(C2CC2)nc2onc(-c3ccc(F)cc3)c12.
What is the InChIKey of methyl 6-cyclopropyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is ARLPCHLXNBOIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3/c1-22-17(21)12-8-13(9-2-3-9)19-16-14(12)15(20-23-16)10-4-6-11(18)7-5-10/h4-9H,2-3H2,1H3.
What are the key properties of methyl 6-cyclopropyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
methyl 6-cyclopropyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 312.30 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-cyclopropyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 25247929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).