2-(1-fluoroethyl)-1,3-oxazole-4-carboxylic acid

C6H6FNO3 — CID 90389428

IUPAC2-(1-fluoroethyl)-1,3-oxazole-4-carboxylic acid
SMILESCC(F)c1nc(C(=O)O)co1
InChIInChI=1S/C6H6FNO3/c1-3(7)5-8-4(2-11-5)6(9)10/h2-3H,1H3,(H,9,10)
InChIKeyCLHGOEZCXVAKDZ-UHFFFAOYSA-N
MW159.12 g/mol
LogP1.40
Rot. Bonds2

About 2-(1-fluoroethyl)-1,3-oxazole-4-carboxylic acid

2-(1-fluoroethyl)-1,3-oxazole-4-carboxylic acid (PubChem CID 90389428) has the molecular formula C6H6FNO3 and a molecular weight of 159.12 g/mol. Its IUPAC name is 2-(1-fluoroethyl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(1-fluoroethyl)-1,3-oxazole-4-carboxylic acid
PubChem CID90389428
Molecular FormulaC6H6FNO3
Molecular Weight159.12 g/mol
Exact Mass159.03
IUPAC Name2-(1-fluoroethyl)-1,3-oxazole-4-carboxylic acid
SMILESCC(F)c1nc(C(=O)O)co1
InChIInChI=1S/C6H6FNO3/c1-3(7)5-8-4(2-11-5)6(9)10/h2-3H,1H3,(H,9,10)
InChIKeyCLHGOEZCXVAKDZ-UHFFFAOYSA-N
XLogP1.40
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.12
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyloxazole-4-carboxylic acid
CID 539404
Ethyl 2-methyl-1,3-oxazole-4-carboxylate
CID 10402496
(2-Methyl-1,3-oxazol-4-yl)methanol
CID 5324810
Methyl 2-methyl-1,3-oxazole-4-carboxylate
CID 10855551
2-Ethyl-1,3-oxazole-4-carboxylic acid
CID 21284955
2-Chloro-1,3-oxazole-4-carboxylic acid
CID 44182043
2-Propyl-1,3-oxazole-4-carboxylic acid
CID 53403815
Ethyl 2-ethynyl-1,3-oxazole-4-carboxylate
CID 11194529
Ethyl 2-formyl-1,3-oxazole-4-carboxylate
CID 10583255
Ethyl 2-(2-bromoethyl)-1,3-oxazole-4-carboxylate
CID 10857806
Methyl 2-bromomethyl-4-oxazolecarboxylate
CID 10955062
5-Ethoxy-2-methyl-1,3-oxazole-4-carboxylic acid
CID 12265786

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoroethyl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(1-fluoroethyl)-1,3-oxazole-4-carboxylic acid (CID 90389428) is 2-(1-fluoroethyl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(1-fluoroethyl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(1-fluoroethyl)-1,3-oxazole-4-carboxylic acid is CC(F)c1nc(C(=O)O)co1.
What is the InChIKey of 2-(1-fluoroethyl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is CLHGOEZCXVAKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO3/c1-3(7)5-8-4(2-11-5)6(9)10/h2-3H,1H3,(H,9,10).
What are the key properties of 2-(1-fluoroethyl)-1,3-oxazole-4-carboxylic acid?
2-(1-fluoroethyl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 159.12 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroethyl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 90389428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).