methyl 6-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate

C17H14FN3O4 — CID 66598971

IUPACmethyl 6-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(OCc2c(-c3ccc(F)cn3)noc2C)nc1
InChIInChI=1S/C17H14FN3O4/c1-10-13(16(21-25-10)14-5-4-12(18)8-19-14)9-24-15-6-3-11(7-20-15)17(22)23-2/h3-8H,9H2,1-2H3
InChIKeyYFFSQJZOEORGNJ-UHFFFAOYSA-N
MW343.31 g/mol
LogP2.94
Rot. Bonds5

About methyl 6-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate

methyl 6-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate (PubChem CID 66598971) has the molecular formula C17H14FN3O4 and a molecular weight of 343.31 g/mol. Its IUPAC name is methyl 6-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate
PubChem CID66598971
Molecular FormulaC17H14FN3O4
Molecular Weight343.31 g/mol
Exact Mass343.10
IUPAC Namemethyl 6-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(OCc2c(-c3ccc(F)cn3)noc2C)nc1
InChIInChI=1S/C17H14FN3O4/c1-10-13(16(21-25-10)14-5-4-12(18)8-19-14)9-24-15-6-3-11(7-20-15)17(22)23-2/h3-8H,9H2,1-2H3
InChIKeyYFFSQJZOEORGNJ-UHFFFAOYSA-N
XLogP2.94
TPSA87.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 6-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

Basmisanil
CID 57336276
Alogabat
CID 134588268
6-[[5-methyl-3-(6-methylpyridin-3-yl)-1,2-oxazol-4-yl]methoxy]-~{N}-[(2~{S})-1-oxidanylpentan-2-yl]pyridine-3-carboxamide
CID 134604371
6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3,4-dihydro-2H-2,7-naphthyridin-1-one
CID 168284772
3-Pyridinyl 5-methyl-3-phenyl-4-isoxazolecarboxylate
CID 842092
2-[[3-(4-Fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-6-methyl-7,8-dihydro-1,6-naphthyridin-5-one
CID 168296567
6-[3-(4-Fluoro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-N-isopropyl-nicotinamide
CID 42629329
N-Isopropyl-6-(5-methyl-3-pyridin-2-yl-isoxazol-4-ylmethoxy)-nicotinamide
CID 42630166
N-ethyl-6-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide
CID 42630292
6-[[3-(5-chloro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-cyclopropylpyridine-3-carboxamide
CID 42630414
6-[3-(4-Fluoro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-N-(tetrahydro-pyran-4-yl)-nicotinamide
CID 57520181
6-[3-(2-Fluoro-4-methyl-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-N-isopropyl-nicotinamide
CID 57520477

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate (CID 66598971) is methyl 6-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate is COC(=O)c1ccc(OCc2c(-c3ccc(F)cn3)noc2C)nc1.
What is the InChIKey of methyl 6-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate?
The InChIKey is YFFSQJZOEORGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O4/c1-10-13(16(21-25-10)14-5-4-12(18)8-19-14)9-24-15-6-3-11(7-20-15)17(22)23-2/h3-8H,9H2,1-2H3.
What are the key properties of methyl 6-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate?
methyl 6-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate has a molecular weight of 343.31 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate is sourced from PubChem (CID 66598971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).