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

C17H14FN3O4 — CID 66644374

IUPACmethyl 5-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(OCc2c(-c3ccc(F)cn3)noc2C)cn1
InChIInChI=1S/C17H14FN3O4/c1-10-13(16(21-25-10)14-5-3-11(18)7-19-14)9-24-12-4-6-15(20-8-12)17(22)23-2/h3-8H,9H2,1-2H3
InChIKeyHYGSKNGYRKRBBE-UHFFFAOYSA-N
MW343.31 g/mol
LogP2.94
Rot. Bonds5

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

methyl 5-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate (PubChem CID 66644374) has the molecular formula C17H14FN3O4 and a molecular weight of 343.31 g/mol. Its IUPAC name is methyl 5-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate
PubChem CID66644374
Molecular FormulaC17H14FN3O4
Molecular Weight343.31 g/mol
Exact Mass343.10
IUPAC Namemethyl 5-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(OCc2c(-c3ccc(F)cn3)noc2C)cn1
InChIInChI=1S/C17H14FN3O4/c1-10-13(16(21-25-10)14-5-3-11(18)7-19-14)9-24-12-4-6-15(20-8-12)17(22)23-2/h3-8H,9H2,1-2H3
InChIKeyHYGSKNGYRKRBBE-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 5-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

(2-amino-2-oxoethyl) 5-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyridine-2-carboxylate
CID 66644602
2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]acetic acid
CID 174641906
3-(5-fluoro-2-pyridinyl)-5-methyl-4-[(1-methylpyrazol-3-yl)oxymethyl]-1,2-oxazole
CID 141279422
methyl 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1H-pyrazole-5-carboxylate
CID 66643834
[2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-1,3-thiazol-5-yl] N-methylcarbamate
CID 122553188
methyl 5-(2-methoxyethoxy)pyridine-2-carboxylate
CID 66665588
2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 59568532
ethyl 5-fluoropyridine-2-carboxylate
CID 10986675
N-butan-2-yl-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445363
4-[(4-fluorophenoxy)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445267
1-[6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]-3-methylbutan-1-one
CID 159461087
methyl 4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]benzoate
CID 34754685

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate (CID 66644374) is methyl 5-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate is COC(=O)c1ccc(OCc2c(-c3ccc(F)cn3)noc2C)cn1.
What is the InChIKey of methyl 5-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate?
The InChIKey is HYGSKNGYRKRBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O4/c1-10-13(16(21-25-10)14-5-3-11(18)7-19-14)9-24-12-4-6-15(20-8-12)17(22)23-2/h3-8H,9H2,1-2H3.
What are the key properties of methyl 5-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate?
methyl 5-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-2-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 5-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate is sourced from PubChem (CID 66644374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).