4-[[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]oxane-4-carboxylic acid

C16H14F2N2O5 — CID 122109142

IUPAC4-[[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]oxane-4-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOCC1)c1coc(-c2c(F)cccc2F)n1
InChIInChI=1S/C16H14F2N2O5/c17-9-2-1-3-10(18)12(9)14-19-11(8-25-14)13(21)20-16(15(22)23)4-6-24-7-5-16/h1-3,8H,4-7H2,(H,20,21)(H,22,23)
InChIKeyLJRDLIGNSAQLJK-UHFFFAOYSA-N
MW352.29 g/mol
LogP1.98
Rot. Bonds4

About 4-[[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]oxane-4-carboxylic acid

4-[[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]oxane-4-carboxylic acid (PubChem CID 122109142) has the molecular formula C16H14F2N2O5 and a molecular weight of 352.29 g/mol. Its IUPAC name is 4-[[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]oxane-4-carboxylic acid
PubChem CID122109142
Molecular FormulaC16H14F2N2O5
Molecular Weight352.29 g/mol
Exact Mass352.09
IUPAC Name4-[[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]oxane-4-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOCC1)c1coc(-c2c(F)cccc2F)n1
InChIInChI=1S/C16H14F2N2O5/c17-9-2-1-3-10(18)12(9)14-19-11(8-25-14)13(21)20-16(15(22)23)4-6-24-7-5-16/h1-3,8H,4-7H2,(H,20,21)(H,22,23)
InChIKeyLJRDLIGNSAQLJK-UHFFFAOYSA-N
XLogP1.98
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.29
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]oxolane-3-carboxylic acid
CID 122108227
4-[[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]-3-methylbutanoic acid
CID 122108482
4-[(5-chloro-2-fluorobenzoyl)amino]oxane-4-carboxylic acid
CID 115291662
4-[(3-hydroxy-2-methylbenzoyl)amino]oxane-4-carboxylic acid
CID 82826795
4-[(6-chloropyridazine-3-carbonyl)amino]oxane-4-carboxylic acid
CID 114037097
4-[(3-fluoro-2-methylphenyl)sulfonylamino]oxane-4-carboxylic acid
CID 167793627
3-[(5-fluoropyridine-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 104638297
4-[(2-bromobenzoyl)amino]oxane-4-carboxylic acid
CID 113280132
4-[(2-hydroxy-3-methylbenzoyl)amino]oxane-4-carboxylic acid
CID 115291380
4-[(5-bromopyridine-2-carbonyl)amino]oxane-4-carboxylic acid
CID 115291548
4-[(2-chloro-4,5-difluorobenzoyl)amino]oxane-4-carboxylic acid
CID 115291756
1-[(2,6-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43162964

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]oxane-4-carboxylic acid?
The IUPAC name of 4-[[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]oxane-4-carboxylic acid (CID 122109142) is 4-[[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]oxane-4-carboxylic acid is O=C(NC1(C(=O)O)CCOCC1)c1coc(-c2c(F)cccc2F)n1.
What is the InChIKey of 4-[[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]oxane-4-carboxylic acid?
The InChIKey is LJRDLIGNSAQLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O5/c17-9-2-1-3-10(18)12(9)14-19-11(8-25-14)13(21)20-16(15(22)23)4-6-24-7-5-16/h1-3,8H,4-7H2,(H,20,21)(H,22,23).
What are the key properties of 4-[[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]oxane-4-carboxylic acid?
4-[[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]oxane-4-carboxylic acid has a molecular weight of 352.29 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]oxane-4-carboxylic acid is sourced from PubChem (CID 122109142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).