2-[3-(2,4-difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]acetic acid

C11H9F2NO3 — CID 123505263

IUPAC2-[3-(2,4-difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]acetic acid
SMILESO=C(O)CC1C=C(c2ccc(F)cc2F)NO1
InChIInChI=1S/C11H9F2NO3/c12-6-1-2-8(9(13)3-6)10-4-7(17-14-10)5-11(15)16/h1-4,7,14H,5H2,(H,15,16)
InChIKeyQMJVMWZOQXLPDE-UHFFFAOYSA-N
MW241.19 g/mol
LogP1.68
Rot. Bonds3

About 2-[3-(2,4-difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]acetic acid

2-[3-(2,4-difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]acetic acid (PubChem CID 123505263) has the molecular formula C11H9F2NO3 and a molecular weight of 241.19 g/mol. Its IUPAC name is 2-[3-(2,4-difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(2,4-difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]acetic acid
PubChem CID123505263
Molecular FormulaC11H9F2NO3
Molecular Weight241.19 g/mol
Exact Mass241.06
IUPAC Name2-[3-(2,4-difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]acetic acid
SMILESO=C(O)CC1C=C(c2ccc(F)cc2F)NO1
InChIInChI=1S/C11H9F2NO3/c12-6-1-2-8(9(13)3-6)10-4-7(17-14-10)5-11(15)16/h1-4,7,14H,5H2,(H,15,16)
InChIKeyQMJVMWZOQXLPDE-UHFFFAOYSA-N
XLogP1.68
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(Trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 56974051
3-(2-Fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 56980972
3-(4-Fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57054153
[3-(4-Fluorophenyl)-5-methyl-2,5-dihydro-1,2-oxazol-4-yl]methanol
CID 57113488
3-[3-(Trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57217620
3-(3-Fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57260376
3-[3-(Trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole-4-carboxylic acid
CID 90791675
3-[3-(4-Fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]propanal
CID 90798483
[3-(3,4-Difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 91204558
3-Phenyl-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57036549
2-[3-(4-Cyanophenyl)-2,5-dihydro-1,2-oxazol-5-yl]acetic acid
CID 57099117
2-[(5R)-3-phenyl-2,5-dihydro-1,2-oxazol-5-yl]acetic acid
CID 90719251

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,4-difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]acetic acid?
The IUPAC name of 2-[3-(2,4-difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]acetic acid (CID 123505263) is 2-[3-(2,4-difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]acetic acid.
What is the SMILES notation for 2-[3-(2,4-difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]acetic acid?
The canonical SMILES for 2-[3-(2,4-difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]acetic acid is O=C(O)CC1C=C(c2ccc(F)cc2F)NO1.
What is the InChIKey of 2-[3-(2,4-difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]acetic acid?
The InChIKey is QMJVMWZOQXLPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NO3/c12-6-1-2-8(9(13)3-6)10-4-7(17-14-10)5-11(15)16/h1-4,7,14H,5H2,(H,15,16).
What are the key properties of 2-[3-(2,4-difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]acetic acid?
2-[3-(2,4-difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]acetic acid has a molecular weight of 241.19 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,4-difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]acetic acid is sourced from PubChem (CID 123505263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).