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

C9H9NO5 — CID 141305791

IUPAC2-[5-(2-methyl-1,3-dioxol-2-yl)-1,3-oxazol-2-yl]acetic acid
SMILESCC1(c2cnc(CC(=O)O)o2)OC=CO1
InChIInChI=1S/C9H9NO5/c1-9(13-2-3-14-9)6-5-10-7(15-6)4-8(11)12/h2-3,5H,4H2,1H3,(H,11,12)
InChIKeyVXIAVVKGHLPXPM-UHFFFAOYSA-N
MW211.17 g/mol
LogP0.99
Rot. Bonds3

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

2-[5-(2-methyl-1,3-dioxol-2-yl)-1,3-oxazol-2-yl]acetic acid (PubChem CID 141305791) has the molecular formula C9H9NO5 and a molecular weight of 211.17 g/mol. Its IUPAC name is 2-[5-(2-methyl-1,3-dioxol-2-yl)-1,3-oxazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(2-methyl-1,3-dioxol-2-yl)-1,3-oxazol-2-yl]acetic acid
PubChem CID141305791
Molecular FormulaC9H9NO5
Molecular Weight211.17 g/mol
Exact Mass211.05
IUPAC Name2-[5-(2-methyl-1,3-dioxol-2-yl)-1,3-oxazol-2-yl]acetic acid
SMILESCC1(c2cnc(CC(=O)O)o2)OC=CO1
InChIInChI=1S/C9H9NO5/c1-9(13-2-3-14-9)6-5-10-7(15-6)4-8(11)12/h2-3,5H,4H2,1H3,(H,11,12)
InChIKeyVXIAVVKGHLPXPM-UHFFFAOYSA-N
XLogP0.99
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methyl-1,3-dioxol-2-yl)-1,3-oxazol-2-yl]acetic acid?
The IUPAC name of 2-[5-(2-methyl-1,3-dioxol-2-yl)-1,3-oxazol-2-yl]acetic acid (CID 141305791) is 2-[5-(2-methyl-1,3-dioxol-2-yl)-1,3-oxazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(2-methyl-1,3-dioxol-2-yl)-1,3-oxazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-(2-methyl-1,3-dioxol-2-yl)-1,3-oxazol-2-yl]acetic acid is CC1(c2cnc(CC(=O)O)o2)OC=CO1.
What is the InChIKey of 2-[5-(2-methyl-1,3-dioxol-2-yl)-1,3-oxazol-2-yl]acetic acid?
The InChIKey is VXIAVVKGHLPXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO5/c1-9(13-2-3-14-9)6-5-10-7(15-6)4-8(11)12/h2-3,5H,4H2,1H3,(H,11,12).
What are the key properties of 2-[5-(2-methyl-1,3-dioxol-2-yl)-1,3-oxazol-2-yl]acetic acid?
2-[5-(2-methyl-1,3-dioxol-2-yl)-1,3-oxazol-2-yl]acetic acid has a molecular weight of 211.17 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methyl-1,3-dioxol-2-yl)-1,3-oxazol-2-yl]acetic acid is sourced from PubChem (CID 141305791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).