2-[3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid

C11H9ClFNO3 — CID 82300192

IUPAC2-[3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid
SMILESO=C(O)CC1CC(c2c(F)cccc2Cl)=NO1
InChIInChI=1S/C11H9ClFNO3/c12-7-2-1-3-8(13)11(7)9-4-6(17-14-9)5-10(15)16/h1-3,6H,4-5H2,(H,15,16)
InChIKeyBNXKYLBPEKIFHZ-UHFFFAOYSA-N
MW257.65 g/mol
LogP2.45
Rot. Bonds3

About 2-[3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid

2-[3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid (PubChem CID 82300192) has the molecular formula C11H9ClFNO3 and a molecular weight of 257.65 g/mol. Its IUPAC name is 2-[3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid
PubChem CID82300192
Molecular FormulaC11H9ClFNO3
Molecular Weight257.65 g/mol
Exact Mass257.03
IUPAC Name2-[3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid
SMILESO=C(O)CC1CC(c2c(F)cccc2Cl)=NO1
InChIInChI=1S/C11H9ClFNO3/c12-7-2-1-3-8(13)11(7)9-4-6(17-14-9)5-10(15)16/h1-3,6H,4-5H2,(H,15,16)
InChIKeyBNXKYLBPEKIFHZ-UHFFFAOYSA-N
XLogP2.45
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.65
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Zenuzolac
CID 10798271
3-(2-Chlorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 3164162
(2Z)-3-(2-Chlorophenyl)-2-hydroxyiminopropanoic Acid
CID 127046269
3-(2-Chlorophenyl)-1,2-oxazol-5(4H)-one
CID 53425053
3-(2-Chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 2962193
3-(2-Chlorophenyl)-4,5-dihydroisoxazole-5-carboxylic acid
CID 2962259
2-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]acetic acid
CID 67023432
[3-(4-Fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid
CID 42647391
3-(3-Chloro-4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 19863008
2-(2-Chloro-6-fluorophenyl)-2-(1-methylcyclopentyl)oxyiminoacetic acid
CID 54014763
Propyl 3-(2-chloro-4-fluorophenyl)-3-methoxyiminopropanoate
CID 54407290
3-(2-Chloro-6-fluorophenyl)5-methyl-4H-pyrazole-4-carboxylic Acid Ethyl Ester
CID 59119343

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid?
The IUPAC name of 2-[3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid (CID 82300192) is 2-[3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid.
What is the SMILES notation for 2-[3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid?
The canonical SMILES for 2-[3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid is O=C(O)CC1CC(c2c(F)cccc2Cl)=NO1.
What is the InChIKey of 2-[3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid?
The InChIKey is BNXKYLBPEKIFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNO3/c12-7-2-1-3-8(13)11(7)9-4-6(17-14-9)5-10(15)16/h1-3,6H,4-5H2,(H,15,16).
What are the key properties of 2-[3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid?
2-[3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid has a molecular weight of 257.65 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid is sourced from PubChem (CID 82300192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).