2-[5-[4-(difluoromethoxy)phenyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetic acid

C15H10F2N2O5 — CID 135304345

IUPAC2-[5-[4-(difluoromethoxy)phenyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetic acid
SMILESO=C(O)Cn1c(=O)oc2ccc(-c3ccc(OC(F)F)cc3)nc21
InChIInChI=1S/C15H10F2N2O5/c16-14(17)23-9-3-1-8(2-4-9)10-5-6-11-13(18-10)19(7-12(20)21)15(22)24-11/h1-6,14H,7H2,(H,20,21)
InChIKeyJHQYSIYTLPJYCA-UHFFFAOYSA-N
MW336.25 g/mol
LogP2.34
Rot. Bonds5

About 2-[5-[4-(difluoromethoxy)phenyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetic acid

2-[5-[4-(difluoromethoxy)phenyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetic acid (PubChem CID 135304345) has the molecular formula C15H10F2N2O5 and a molecular weight of 336.25 g/mol. Its IUPAC name is 2-[5-[4-(difluoromethoxy)phenyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[4-(difluoromethoxy)phenyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetic acid
PubChem CID135304345
Molecular FormulaC15H10F2N2O5
Molecular Weight336.25 g/mol
Exact Mass336.06
IUPAC Name2-[5-[4-(difluoromethoxy)phenyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetic acid
SMILESO=C(O)Cn1c(=O)oc2ccc(-c3ccc(OC(F)F)cc3)nc21
InChIInChI=1S/C15H10F2N2O5/c16-14(17)23-9-3-1-8(2-4-9)10-5-6-11-13(18-10)19(7-12(20)21)15(22)24-11/h1-6,14H,7H2,(H,20,21)
InChIKeyJHQYSIYTLPJYCA-UHFFFAOYSA-N
XLogP2.34
TPSA94.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[3-(Trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylic acid
CID 123991914
2-[5-[2-Methyl-4-(trifluoromethoxy)phenyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetic acid
CID 135304336
Tert-butyl 3-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]propanoate
CID 135304337
Tert-butyl 2-[5-[4-(difluoromethoxy)phenyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetate
CID 135304341
3-(Methylsulfanylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 135304342
5-[4-(trifluoromethoxy)phenyl]-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 135304343
Tert-butyl 2-[5-[5-fluoro-6-(2,2,2-trifluoroethoxy)pyridin-3-yl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetate
CID 135304348
2-[5-[5-Fluoro-6-(2,2,2-trifluoroethoxy)pyridin-3-yl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetic acid
CID 135304349
2-[2-Oxo-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetic acid
CID 135304352
Tert-butyl 2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetate
CID 135304512
Methyl 3-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]propanoate
CID 135304530
Tert-butyl 2-[5-[2-methyl-4-(trifluoromethoxy)phenyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetate
CID 135304539

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(difluoromethoxy)phenyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetic acid?
The IUPAC name of 2-[5-[4-(difluoromethoxy)phenyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetic acid (CID 135304345) is 2-[5-[4-(difluoromethoxy)phenyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetic acid.
What is the SMILES notation for 2-[5-[4-(difluoromethoxy)phenyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetic acid?
The canonical SMILES for 2-[5-[4-(difluoromethoxy)phenyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetic acid is O=C(O)Cn1c(=O)oc2ccc(-c3ccc(OC(F)F)cc3)nc21.
What is the InChIKey of 2-[5-[4-(difluoromethoxy)phenyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetic acid?
The InChIKey is JHQYSIYTLPJYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O5/c16-14(17)23-9-3-1-8(2-4-9)10-5-6-11-13(18-10)19(7-12(20)21)15(22)24-11/h1-6,14H,7H2,(H,20,21).
What are the key properties of 2-[5-[4-(difluoromethoxy)phenyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetic acid?
2-[5-[4-(difluoromethoxy)phenyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetic acid has a molecular weight of 336.25 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(difluoromethoxy)phenyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetic acid is sourced from PubChem (CID 135304345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).