2-[2-(oxan-2-yl)-1,3-oxazol-4-yl]acetic acid

C10H13NO4 — CID 115027246

IUPAC2-[2-(oxan-2-yl)-1,3-oxazol-4-yl]acetic acid
SMILESO=C(O)Cc1coc(C2CCCCO2)n1
InChIInChI=1S/C10H13NO4/c12-9(13)5-7-6-15-10(11-7)8-3-1-2-4-14-8/h6,8H,1-5H2,(H,12,13)
InChIKeyKKCGKRMIRUVDEK-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.54
Rot. Bonds3

About 2-[2-(oxan-2-yl)-1,3-oxazol-4-yl]acetic acid

2-[2-(oxan-2-yl)-1,3-oxazol-4-yl]acetic acid (PubChem CID 115027246) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-[2-(oxan-2-yl)-1,3-oxazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(oxan-2-yl)-1,3-oxazol-4-yl]acetic acid
PubChem CID115027246
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name2-[2-(oxan-2-yl)-1,3-oxazol-4-yl]acetic acid
SMILESO=C(O)Cc1coc(C2CCCCO2)n1
InChIInChI=1S/C10H13NO4/c12-9(13)5-7-6-15-10(11-7)8-3-1-2-4-14-8/h6,8H,1-5H2,(H,12,13)
InChIKeyKKCGKRMIRUVDEK-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(oxan-2-yl)-1,3-oxazol-4-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(oxan-4-yl)-1,3-oxazol-4-yl]acetic acid
CID 115027242
N-methyl-1-[2-(oxan-2-yl)-1,3-oxazol-4-yl]propan-2-amine
CID 115082978
2-[2-(1,1-dioxothiolan-2-yl)-1,3-oxazol-4-yl]acetic acid
CID 115082868
2-[5-(oxan-2-yl)-1,2,4-triazin-3-yl]acetic acid
CID 105480301
2-[2-(1,1-dioxothiolan-3-yl)-1,3-oxazol-4-yl]acetic acid
CID 115045543
2-[4-methyl-2-(oxolan-2-yl)-1,3-oxazol-5-yl]acetic acid
CID 115027230
2-(oxan-2-yl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid
CID 114218201
2-[5-fluoro-2-(oxan-2-yl)phenyl]acetic acid
CID 146417244
1-(2-piperidin-2-yl-1,3-oxazol-4-yl)propan-2-one
CID 115082929
2-[2-(oxane-2-carbonylamino)-1,3-thiazol-4-yl]acetic acid
CID 62212778
2-[[2-methyl-5-(oxan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 104602393
3-[2-(oxan-3-yl)-1,3-oxazol-4-yl]propanoic acid
CID 115034902

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxan-2-yl)-1,3-oxazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(oxan-2-yl)-1,3-oxazol-4-yl]acetic acid (CID 115027246) is 2-[2-(oxan-2-yl)-1,3-oxazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(oxan-2-yl)-1,3-oxazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(oxan-2-yl)-1,3-oxazol-4-yl]acetic acid is O=C(O)Cc1coc(C2CCCCO2)n1.
What is the InChIKey of 2-[2-(oxan-2-yl)-1,3-oxazol-4-yl]acetic acid?
The InChIKey is KKCGKRMIRUVDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c12-9(13)5-7-6-15-10(11-7)8-3-1-2-4-14-8/h6,8H,1-5H2,(H,12,13).
What are the key properties of 2-[2-(oxan-2-yl)-1,3-oxazol-4-yl]acetic acid?
2-[2-(oxan-2-yl)-1,3-oxazol-4-yl]acetic acid has a molecular weight of 211.22 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxan-2-yl)-1,3-oxazol-4-yl]acetic acid is sourced from PubChem (CID 115027246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).