6-[[3-(3,4-difluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid

C17H12F2N2O5 — CID 66718168

IUPAC6-[[3-(3,4-difluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(OCc2c(-c3ccc(F)c(F)c3)noc2CO)nc1
InChIInChI=1S/C17H12F2N2O5/c18-12-3-1-9(5-13(12)19)16-11(14(7-22)26-21-16)8-25-15-4-2-10(6-20-15)17(23)24/h1-6,22H,7-8H2,(H,23,24)
InChIKeyDRWARQYFCDZSRY-UHFFFAOYSA-N
MW362.29 g/mol
LogP2.78
Rot. Bonds6

About 6-[[3-(3,4-difluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid

6-[[3-(3,4-difluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid (PubChem CID 66718168) has the molecular formula C17H12F2N2O5 and a molecular weight of 362.29 g/mol. Its IUPAC name is 6-[[3-(3,4-difluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[3-(3,4-difluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid
PubChem CID66718168
Molecular FormulaC17H12F2N2O5
Molecular Weight362.29 g/mol
Exact Mass362.07
IUPAC Name6-[[3-(3,4-difluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(OCc2c(-c3ccc(F)c(F)c3)noc2CO)nc1
InChIInChI=1S/C17H12F2N2O5/c18-12-3-1-9(5-13(12)19)16-11(14(7-22)26-21-16)8-25-15-4-2-10(6-20-15)17(23)24/h1-6,22H,7-8H2,(H,23,24)
InChIKeyDRWARQYFCDZSRY-UHFFFAOYSA-N
XLogP2.78
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[[3-(3,4-difluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid with MolForge

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Related Compounds

6-[[3-(3,4-difluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 46928967
6-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 46928572
6-[[3-(4-chlorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-[(2R)-2-hydroxycyclopentylidene]pyridine-3-carboxamide
CID 163959762
CID 172815273
CID 172815273
3-[[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]-N-propyl-1,2-oxazole-5-carboxamide
CID 67492440
6-(3,4-difluorophenyl)-5-methylpyridine-3-carboxylic acid
CID 82119054
6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylic acid
CID 42630170
1-[6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]-3-methylbutan-1-one
CID 159461087
methyl 6-[[3-(4-chlorophenyl)-5-formyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate
CID 86646255
6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylic acid
CID 66598335
N-ethyl-6-[[3-phenyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide
CID 68938732
6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide
CID 134588619

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(3,4-difluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[3-(3,4-difluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid (CID 66718168) is 6-[[3-(3,4-difluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[3-(3,4-difluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[3-(3,4-difluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid is O=C(O)c1ccc(OCc2c(-c3ccc(F)c(F)c3)noc2CO)nc1.
What is the InChIKey of 6-[[3-(3,4-difluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid?
The InChIKey is DRWARQYFCDZSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O5/c18-12-3-1-9(5-13(12)19)16-11(14(7-22)26-21-16)8-25-15-4-2-10(6-20-15)17(23)24/h1-6,22H,7-8H2,(H,23,24).
What are the key properties of 6-[[3-(3,4-difluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid?
6-[[3-(3,4-difluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid has a molecular weight of 362.29 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(3,4-difluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 66718168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).