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

C17H13FN2O4 — CID 118519992

IUPAC[6-cyclopropyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl] methyl carbonate
SMILESCOC(=O)Oc1cc(C2CC2)nc2onc(-c3ccc(F)cc3)c12
InChIInChI=1S/C17H13FN2O4/c1-22-17(21)23-13-8-12(9-2-3-9)19-16-14(13)15(20-24-16)10-4-6-11(18)7-5-10/h4-9H,2-3H2,1H3
InChIKeyAYYAPXCFVCSRGO-UHFFFAOYSA-N
MW328.30 g/mol
LogP4.05
Rot. Bonds3

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

[6-cyclopropyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl] methyl carbonate (PubChem CID 118519992) has the molecular formula C17H13FN2O4 and a molecular weight of 328.30 g/mol. Its IUPAC name is [6-cyclopropyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl] methyl carbonate.

Molecular Properties

Compound Name[6-cyclopropyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl] methyl carbonate
PubChem CID118519992
Molecular FormulaC17H13FN2O4
Molecular Weight328.30 g/mol
Exact Mass328.09
IUPAC Name[6-cyclopropyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl] methyl carbonate
SMILESCOC(=O)Oc1cc(C2CC2)nc2onc(-c3ccc(F)cc3)c12
InChIInChI=1S/C17H13FN2O4/c1-22-17(21)23-13-8-12(9-2-3-9)19-16-14(13)15(20-24-16)10-4-6-11(18)7-5-10/h4-9H,2-3H2,1H3
InChIKeyAYYAPXCFVCSRGO-UHFFFAOYSA-N
XLogP4.05
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

Methyl 6-(4-fluorophenyl)-3-methylisoxazolo[5,4-b]pyridine-4-carboxylate
CID 9454189
3-Cyclopropyl-6-[(3-fluoro-4-methylphenyl)methoxy]-[1,2]oxazolo[5,4-b]pyridine
CID 129316299
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-[2-(trifluoromethyl)phenoxy]-[1,2]oxazolo[5,4-b]pyridine
CID 129316315
3-Cyclopropyl-6-(2-fluoro-4-methoxyphenoxy)-[1,2]oxazolo[5,4-b]pyridine
CID 129316316
3-Cyclopropyl-6-(3-fluoro-4-methylphenoxy)-[1,2]oxazolo[5,4-b]pyridine
CID 129316317
3-Cyclopropyl-6-[3-(trifluoromethyl)phenoxy]-[1,2]oxazolo[5,4-b]pyridine
CID 129316319
3-Cyclopropyl-6-(4-fluoro-3-methylphenoxy)-[1,2]oxazolo[5,4-b]pyridine
CID 129316321
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 6-cyclopropyl-3-(4-fluorophenyl)isoxazolo[5,4-b]pyridine-4-carboxylate
CID 25247929

Frequently Asked Questions

What is the IUPAC name of [6-cyclopropyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl] methyl carbonate?
The IUPAC name of [6-cyclopropyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl] methyl carbonate (CID 118519992) is [6-cyclopropyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl] methyl carbonate.
What is the SMILES notation for [6-cyclopropyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl] methyl carbonate?
The canonical SMILES for [6-cyclopropyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl] methyl carbonate is COC(=O)Oc1cc(C2CC2)nc2onc(-c3ccc(F)cc3)c12.
What is the InChIKey of [6-cyclopropyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl] methyl carbonate?
The InChIKey is AYYAPXCFVCSRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O4/c1-22-17(21)23-13-8-12(9-2-3-9)19-16-14(13)15(20-24-16)10-4-6-11(18)7-5-10/h4-9H,2-3H2,1H3.
What are the key properties of [6-cyclopropyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl] methyl carbonate?
[6-cyclopropyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl] methyl carbonate has a molecular weight of 328.30 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-cyclopropyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl] methyl carbonate is sourced from PubChem (CID 118519992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).