5-(5-fluorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid

C8H4FNO3S — CID 146447163

IUPAC5-(5-fluorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)s2)on1
InChIInChI=1S/C8H4FNO3S/c9-7-2-1-6(14-7)5-3-4(8(11)12)10-13-5/h1-3H,(H,11,12)
InChIKeyCPHSRWLTKZXFRN-UHFFFAOYSA-N
MW213.19 g/mol
LogP2.24
Rot. Bonds2

About 5-(5-fluorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid

5-(5-fluorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid (PubChem CID 146447163) has the molecular formula C8H4FNO3S and a molecular weight of 213.19 g/mol. Its IUPAC name is 5-(5-fluorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-fluorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid
PubChem CID146447163
Molecular FormulaC8H4FNO3S
Molecular Weight213.19 g/mol
Exact Mass212.99
IUPAC Name5-(5-fluorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)s2)on1
InChIInChI=1S/C8H4FNO3S/c9-7-2-1-6(14-7)5-3-4(8(11)12)10-13-5/h1-3H,(H,11,12)
InChIKeyCPHSRWLTKZXFRN-UHFFFAOYSA-N
XLogP2.24
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-bromo-1-[5-(5-fluorothiophen-2-yl)-1,2-oxazol-3-yl]heptan-1-one
CID 163493197
1-[5-(5-fluorothiophen-2-yl)-1,2-oxazol-3-yl]-7-(4-methylpiperazin-1-yl)heptan-1-one
CID 159791127
5-(4-bromo-2,3,5,6-tetrafluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 115111261
5-(2,3,4-trifluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 83810758
5-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)-1,2-oxazole-3-carboxylic acid
CID 117416541
5-(2,6-difluoro-3-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117350000
5-(3-fluoro-4-pyridinyl)-1,2-oxazole-3-carboxylic acid
CID 131555755
5-(4-bromo-3,5-difluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 117488817
1-[7-[5-(5-fluorothiophen-2-yl)-1,2-oxazol-3-yl]-7-oxoheptyl]azetidine-3-carboxylic acid;1-[7-[5-(5-fluorothiophen-2-yl)-1,2-oxazol-3-yl]-7-oxoheptyl]-N-methylazetidine-3-carboxamide
CID 163512228
5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]-1,2-oxazole-3-carboxylic acid
CID 115109774
5-(5-fluoro-1-methylindol-6-yl)-1,2-oxazole-3-carboxylic acid
CID 117404267
5-(4-chloro-1-benzothiophen-2-yl)-1,2-oxazole-3-carboxylic acid
CID 115110030

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(5-fluorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid (CID 146447163) is 5-(5-fluorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(5-fluorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(5-fluorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(-c2ccc(F)s2)on1.
What is the InChIKey of 5-(5-fluorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is CPHSRWLTKZXFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4FNO3S/c9-7-2-1-6(14-7)5-3-4(8(11)12)10-13-5/h1-3H,(H,11,12).
What are the key properties of 5-(5-fluorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid?
5-(5-fluorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 213.19 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 146447163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).