[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl] hydrogen carbonate

C14H9FN2O4 — CID 118519996

IUPAC[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl] hydrogen carbonate
SMILESCc1cc(OC(=O)O)c2c(-c3ccc(F)cc3)noc2n1
InChIInChI=1S/C14H9FN2O4/c1-7-6-10(20-14(18)19)11-12(17-21-13(11)16-7)8-2-4-9(15)5-3-8/h2-6H,1H3,(H,18,19)
InChIKeyFQAIOXXHZMTVBY-UHFFFAOYSA-N
MW288.23 g/mol
LogP3.39
Rot. Bonds2

About [3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl] hydrogen carbonate

[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl] hydrogen carbonate (PubChem CID 118519996) has the molecular formula C14H9FN2O4 and a molecular weight of 288.23 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl] hydrogen carbonate.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl] hydrogen carbonate
PubChem CID118519996
Molecular FormulaC14H9FN2O4
Molecular Weight288.23 g/mol
Exact Mass288.05
IUPAC Name[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl] hydrogen carbonate
SMILESCc1cc(OC(=O)O)c2c(-c3ccc(F)cc3)noc2n1
InChIInChI=1S/C14H9FN2O4/c1-7-6-10(20-14(18)19)11-12(17-21-13(11)16-7)8-2-4-9(15)5-3-8/h2-6H,1H3,(H,18,19)
InChIKeyFQAIOXXHZMTVBY-UHFFFAOYSA-N
XLogP3.39
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl] hydrogen carbonate with MolForge

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Related Compounds

6-Methylisoxazolo[5,4-b]pyridin-3-yl 4-methylpiperidine-1-carboxylate
CID 69153636
Methyl 6-(4-fluorophenyl)-3-methylisoxazolo[5,4-b]pyridine-4-carboxylate
CID 9454189
3-Cyclopropyl-6-(3-fluorophenoxy)-[1,2]oxazolo[5,4-b]pyridine
CID 129316302
3-Cyclopropyl-6-(3,5-difluorophenoxy)-[1,2]oxazolo[5,4-b]pyridine
CID 129316307
3-Cyclopropyl-6-(3-fluoro-4-methylphenoxy)-[1,2]oxazolo[5,4-b]pyridine
CID 129316317
3-Cyclopropyl-6-(4-fluoro-3-methylphenoxy)-[1,2]oxazolo[5,4-b]pyridine
CID 129316321
6-(4-Methoxyphenyl)-3-methyl-(1,2)oxazolo(5,4-b)pyridine-4-carboxylic acid
CID 16641424
4-(4-Methoxy-phenyl)-3-methylisoxazolo[5,4-b]pyridine-6-carboxylic acid
CID 60149860
Ethyl 6-(2-fluoro-4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 2079442
Methyl 6-(2-fluorophenyl)-3-methylisoxazolo[5,4-b]pyridine-4-carboxylate
CID 4804070
Methyl 3-(4-fluorophenyl)-6-methylisoxazolo[5,4-b]pyridine-4-carboxylate
CID 25247957
6-(2,6-Difluorophenoxy)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine
CID 71448245

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl] hydrogen carbonate?
The IUPAC name of [3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl] hydrogen carbonate (CID 118519996) is [3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl] hydrogen carbonate.
What is the SMILES notation for [3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl] hydrogen carbonate?
The canonical SMILES for [3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl] hydrogen carbonate is Cc1cc(OC(=O)O)c2c(-c3ccc(F)cc3)noc2n1.
What is the InChIKey of [3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl] hydrogen carbonate?
The InChIKey is FQAIOXXHZMTVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O4/c1-7-6-10(20-14(18)19)11-12(17-21-13(11)16-7)8-2-4-9(15)5-3-8/h2-6H,1H3,(H,18,19).
What are the key properties of [3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl] hydrogen carbonate?
[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl] hydrogen carbonate has a molecular weight of 288.23 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl] hydrogen carbonate is sourced from PubChem (CID 118519996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).