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

C11H9F2NO3 — CID 67216522

IUPAC2-[(5R)-3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid
SMILESO=C(O)C[C@H]1CC(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/h1-3,7H,4-5H2,(H,15,16)/t7-/m1/s1
InChIKeyWSZWWYLNDQQPAB-SSDOTTSWSA-N
MW241.19 g/mol
LogP1.93
Rot. Bonds3

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

2-[(5R)-3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid (PubChem CID 67216522) has the molecular formula C11H9F2NO3 and a molecular weight of 241.19 g/mol. Its IUPAC name is 2-[(5R)-3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[(5R)-3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid
PubChem CID67216522
Molecular FormulaC11H9F2NO3
Molecular Weight241.19 g/mol
Exact Mass241.06
IUPAC Name2-[(5R)-3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid
SMILESO=C(O)C[C@H]1CC(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/h1-3,7H,4-5H2,(H,15,16)/t7-/m1/s1
InChIKeyWSZWWYLNDQQPAB-SSDOTTSWSA-N
XLogP1.93
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid?
The IUPAC name of 2-[(5R)-3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid (CID 67216522) is 2-[(5R)-3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid.
What is the SMILES notation for 2-[(5R)-3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid?
The canonical SMILES for 2-[(5R)-3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid is O=C(O)C[C@H]1CC(c2ccc(F)cc2F)=NO1.
What is the InChIKey of 2-[(5R)-3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid?
The InChIKey is WSZWWYLNDQQPAB-SSDOTTSWSA-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/h1-3,7H,4-5H2,(H,15,16)/t7-/m1/s1.
What are the key properties of 2-[(5R)-3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid?
2-[(5R)-3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid has a molecular weight of 241.19 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid is sourced from PubChem (CID 67216522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).