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

C10H13NO4 — CID 115027223

IUPAC2-[5-(3-methyloxolan-3-yl)-1,3-oxazol-2-yl]acetic acid
SMILESCC1(c2cnc(CC(=O)O)o2)CCOC1
InChIInChI=1S/C10H13NO4/c1-10(2-3-14-6-10)7-5-11-8(15-7)4-9(12)13/h5H,2-4,6H2,1H3,(H,12,13)
InChIKeyGBSNHMLLDVBAGM-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.98
Rot. Bonds3

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

2-[5-(3-methyloxolan-3-yl)-1,3-oxazol-2-yl]acetic acid (PubChem CID 115027223) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-[5-(3-methyloxolan-3-yl)-1,3-oxazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(3-methyloxolan-3-yl)-1,3-oxazol-2-yl]acetic acid
PubChem CID115027223
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name2-[5-(3-methyloxolan-3-yl)-1,3-oxazol-2-yl]acetic acid
SMILESCC1(c2cnc(CC(=O)O)o2)CCOC1
InChIInChI=1S/C10H13NO4/c1-10(2-3-14-6-10)7-5-11-8(15-7)4-9(12)13/h5H,2-4,6H2,1H3,(H,12,13)
InChIKeyGBSNHMLLDVBAGM-UHFFFAOYSA-N
XLogP0.98
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methyloxolan-3-yl)-1,3-oxazol-2-yl]acetic acid?
The IUPAC name of 2-[5-(3-methyloxolan-3-yl)-1,3-oxazol-2-yl]acetic acid (CID 115027223) is 2-[5-(3-methyloxolan-3-yl)-1,3-oxazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(3-methyloxolan-3-yl)-1,3-oxazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-(3-methyloxolan-3-yl)-1,3-oxazol-2-yl]acetic acid is CC1(c2cnc(CC(=O)O)o2)CCOC1.
What is the InChIKey of 2-[5-(3-methyloxolan-3-yl)-1,3-oxazol-2-yl]acetic acid?
The InChIKey is GBSNHMLLDVBAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-10(2-3-14-6-10)7-5-11-8(15-7)4-9(12)13/h5H,2-4,6H2,1H3,(H,12,13).
What are the key properties of 2-[5-(3-methyloxolan-3-yl)-1,3-oxazol-2-yl]acetic acid?
2-[5-(3-methyloxolan-3-yl)-1,3-oxazol-2-yl]acetic acid has a molecular weight of 211.22 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methyloxolan-3-yl)-1,3-oxazol-2-yl]acetic acid is sourced from PubChem (CID 115027223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).