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

C15H12F2N2O5 — CID 122108227

IUPAC3-[[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]oxolane-3-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOC1)c1coc(-c2c(F)cccc2F)n1
InChIInChI=1S/C15H12F2N2O5/c16-8-2-1-3-9(17)11(8)13-18-10(6-24-13)12(20)19-15(14(21)22)4-5-23-7-15/h1-3,6H,4-5,7H2,(H,19,20)(H,21,22)
InChIKeyHYZVDIGQPJWOSD-UHFFFAOYSA-N
MW338.27 g/mol
LogP1.59
Rot. Bonds4

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

3-[[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]oxolane-3-carboxylic acid (PubChem CID 122108227) has the molecular formula C15H12F2N2O5 and a molecular weight of 338.27 g/mol. Its IUPAC name is 3-[[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]oxolane-3-carboxylic acid
PubChem CID122108227
Molecular FormulaC15H12F2N2O5
Molecular Weight338.27 g/mol
Exact Mass338.07
IUPAC Name3-[[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]oxolane-3-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOC1)c1coc(-c2c(F)cccc2F)n1
InChIInChI=1S/C15H12F2N2O5/c16-8-2-1-3-9(17)11(8)13-18-10(6-24-13)12(20)19-15(14(21)22)4-5-23-7-15/h1-3,6H,4-5,7H2,(H,19,20)(H,21,22)
InChIKeyHYZVDIGQPJWOSD-UHFFFAOYSA-N
XLogP1.59
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]oxane-4-carboxylic acid
CID 122109142
3-[(5-fluoropyridine-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 104638297
3-[(4-fluoro-3-methylbenzoyl)amino]oxolane-3-carboxylic acid
CID 64890379
3-[(3,4,5-trifluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 64890377
3-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]oxolane-3-carboxylic acid
CID 64888025
3-[(3-bromo-4-fluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 103925896
3-[(4-bromo-3-fluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 64889400
3-(2H-triazole-4-carbonylamino)oxolane-3-carboxylic acid
CID 64890738
3-[(6-fluoroquinoline-8-carbonyl)amino]oxolane-3-carboxylic acid
CID 120532730
3-[(4-chloro-2,5-difluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 82783105
3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 64889001
3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]oxolane-3-carboxylic acid
CID 64890580

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]oxolane-3-carboxylic acid (CID 122108227) is 3-[[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]oxolane-3-carboxylic acid is O=C(NC1(C(=O)O)CCOC1)c1coc(-c2c(F)cccc2F)n1.
What is the InChIKey of 3-[[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]oxolane-3-carboxylic acid?
The InChIKey is HYZVDIGQPJWOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O5/c16-8-2-1-3-9(17)11(8)13-18-10(6-24-13)12(20)19-15(14(21)22)4-5-23-7-15/h1-3,6H,4-5,7H2,(H,19,20)(H,21,22).
What are the key properties of 3-[[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]oxolane-3-carboxylic acid?
3-[[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]oxolane-3-carboxylic acid has a molecular weight of 338.27 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 122108227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).