2-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]acetic acid

C8H10FNO3 — CID 84770270

IUPAC2-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]acetic acid
SMILESCC(C)(F)c1cnc(CC(=O)O)o1
InChIInChI=1S/C8H10FNO3/c1-8(2,9)5-4-10-6(13-5)3-7(11)12/h4H,3H2,1-2H3,(H,11,12)
InChIKeyODYSLPRXDRRJNW-UHFFFAOYSA-N
MW187.17 g/mol
LogP1.51
Rot. Bonds3

About 2-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]acetic acid

2-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]acetic acid (PubChem CID 84770270) has the molecular formula C8H10FNO3 and a molecular weight of 187.17 g/mol. Its IUPAC name is 2-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]acetic acid
PubChem CID84770270
Molecular FormulaC8H10FNO3
Molecular Weight187.17 g/mol
Exact Mass187.06
IUPAC Name2-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]acetic acid
SMILESCC(C)(F)c1cnc(CC(=O)O)o1
InChIInChI=1S/C8H10FNO3/c1-8(2,9)5-4-10-6(13-5)3-7(11)12/h4H,3H2,1-2H3,(H,11,12)
InChIKeyODYSLPRXDRRJNW-UHFFFAOYSA-N
XLogP1.51
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.17
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]acetic acid?
The IUPAC name of 2-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]acetic acid (CID 84770270) is 2-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]acetic acid is CC(C)(F)c1cnc(CC(=O)O)o1.
What is the InChIKey of 2-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]acetic acid?
The InChIKey is ODYSLPRXDRRJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO3/c1-8(2,9)5-4-10-6(13-5)3-7(11)12/h4H,3H2,1-2H3,(H,11,12).
What are the key properties of 2-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]acetic acid?
2-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]acetic acid has a molecular weight of 187.17 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]acetic acid is sourced from PubChem (CID 84770270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).