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

C18H15FN2O3 — CID 46680804

IUPAC(3-fluorophenyl)methyl 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SMILESCc1noc2nc(C3CC3)cc(C(=O)OCc3cccc(F)c3)c12
InChIInChI=1S/C18H15FN2O3/c1-10-16-14(8-15(12-5-6-12)20-17(16)24-21-10)18(22)23-9-11-3-2-4-13(19)7-11/h2-4,7-8,12H,5-6,9H2,1H3
InChIKeyLISAYOCTAREXDS-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.90
Rot. Bonds4

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

(3-fluorophenyl)methyl 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 46680804) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is (3-fluorophenyl)methyl 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name(3-fluorophenyl)methyl 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
PubChem CID46680804
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC Name(3-fluorophenyl)methyl 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SMILESCc1noc2nc(C3CC3)cc(C(=O)OCc3cccc(F)c3)c12
InChIInChI=1S/C18H15FN2O3/c1-10-16-14(8-15(12-5-6-12)20-17(16)24-21-10)18(22)23-9-11-3-2-4-13(19)7-11/h2-4,7-8,12H,5-6,9H2,1H3
InChIKeyLISAYOCTAREXDS-UHFFFAOYSA-N
XLogP3.90
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

naphthalen-1-ylmethyl 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 86776570
2-benzoyloxyethyl 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 43056538
[2-(3,5-difluoroanilino)-2-oxoethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 86776594
[2-[benzyl(ethyl)amino]-2-oxoethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 18132933
(5-bromo-2-methoxyphenyl)methyl 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 47016652
[1-(4-fluorophenyl)-1-oxopropan-2-yl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 42887003
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 18132940
[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 30394126
[2-oxo-2-(4-phenylanilino)ethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46681326
(2-oxo-2-phenothiazin-10-ylethyl) 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 35871160
[2-(3-chloroanilino)-2-oxoethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46680882
[(2R)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 51868591

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)methyl 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of (3-fluorophenyl)methyl 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (CID 46680804) is (3-fluorophenyl)methyl 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for (3-fluorophenyl)methyl 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for (3-fluorophenyl)methyl 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is Cc1noc2nc(C3CC3)cc(C(=O)OCc3cccc(F)c3)c12.
What is the InChIKey of (3-fluorophenyl)methyl 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is LISAYOCTAREXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-10-16-14(8-15(12-5-6-12)20-17(16)24-21-10)18(22)23-9-11-3-2-4-13(19)7-11/h2-4,7-8,12H,5-6,9H2,1H3.
What are the key properties of (3-fluorophenyl)methyl 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
(3-fluorophenyl)methyl 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 326.33 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)methyl 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 46680804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).