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

C9H11NO4 — CID 115020927

IUPAC2-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]acetic acid
SMILESO=C(O)Cc1ncc(C2CCCO2)o1
InChIInChI=1S/C9H11NO4/c11-9(12)4-8-10-5-7(14-8)6-2-1-3-13-6/h5-6H,1-4H2,(H,11,12)
InChIKeyJPGQNSVWHYNPIY-UHFFFAOYSA-N
MW197.19 g/mol
LogP1.15
Rot. Bonds3

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

2-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]acetic acid (PubChem CID 115020927) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]acetic acid
PubChem CID115020927
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name2-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]acetic acid
SMILESO=C(O)Cc1ncc(C2CCCO2)o1
InChIInChI=1S/C9H11NO4/c11-9(12)4-8-10-5-7(14-8)6-2-1-3-13-6/h5-6H,1-4H2,(H,11,12)
InChIKeyJPGQNSVWHYNPIY-UHFFFAOYSA-N
XLogP1.15
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]acetic acid?
The IUPAC name of 2-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]acetic acid (CID 115020927) is 2-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]acetic acid is O=C(O)Cc1ncc(C2CCCO2)o1.
What is the InChIKey of 2-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]acetic acid?
The InChIKey is JPGQNSVWHYNPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c11-9(12)4-8-10-5-7(14-8)6-2-1-3-13-6/h5-6H,1-4H2,(H,11,12).
What are the key properties of 2-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]acetic acid?
2-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]acetic acid has a molecular weight of 197.19 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]acetic acid is sourced from PubChem (CID 115020927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).