2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]acetic acid

C11H9FN2O3 — CID 174641906

IUPAC2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]acetic acid
SMILESCc1onc(-c2ccc(F)cn2)c1CC(=O)O
InChIInChI=1S/C11H9FN2O3/c1-6-8(4-10(15)16)11(14-17-6)9-3-2-7(12)5-13-9/h2-3,5H,4H2,1H3,(H,15,16)
InChIKeyWLBSGJKKJVJFKO-UHFFFAOYSA-N
MW236.20 g/mol
LogP1.81
Rot. Bonds3

About 2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]acetic acid

2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]acetic acid (PubChem CID 174641906) has the molecular formula C11H9FN2O3 and a molecular weight of 236.20 g/mol. Its IUPAC name is 2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]acetic acid
PubChem CID174641906
Molecular FormulaC11H9FN2O3
Molecular Weight236.20 g/mol
Exact Mass236.06
IUPAC Name2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]acetic acid
SMILESCc1onc(-c2ccc(F)cn2)c1CC(=O)O
InChIInChI=1S/C11H9FN2O3/c1-6-8(4-10(15)16)11(14-17-6)9-3-2-7(12)5-13-9/h2-3,5H,4H2,1H3,(H,15,16)
InChIKeyWLBSGJKKJVJFKO-UHFFFAOYSA-N
XLogP1.81
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]acetic acid
CID 112585209
2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 59568532
[2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-1,3-thiazol-5-yl] N-methylcarbamate
CID 122553188
methyl 5-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate
CID 66644374
3-(5-fluoro-2-pyridinyl)-5-methyl-4-[(1-methylpyrazol-3-yl)oxymethyl]-1,2-oxazole
CID 141279422
4-ethyl-3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-amine
CID 104639025
4-(5-fluoro-2-pyridinyl)-5-methylpyrimidine-2-carboxylic acid
CID 156842816
2-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
CID 79720214
5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentanoic acid
CID 79719710
ethyl 2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 79719784
2-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid
CID 79717791
1-[6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]-3-methylbutan-1-one
CID 159461087

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]acetic acid?
The IUPAC name of 2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]acetic acid (CID 174641906) is 2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]acetic acid.
What is the SMILES notation for 2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]acetic acid?
The canonical SMILES for 2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]acetic acid is Cc1onc(-c2ccc(F)cn2)c1CC(=O)O.
What is the InChIKey of 2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]acetic acid?
The InChIKey is WLBSGJKKJVJFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3/c1-6-8(4-10(15)16)11(14-17-6)9-3-2-7(12)5-13-9/h2-3,5H,4H2,1H3,(H,15,16).
What are the key properties of 2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]acetic acid?
2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]acetic acid has a molecular weight of 236.20 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]acetic acid is sourced from PubChem (CID 174641906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).