2-(oxolan-3-ylmethyl)-1,3-oxazole-4-carboxylic acid

C9H11NO4 — CID 115082408

IUPAC2-(oxolan-3-ylmethyl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(CC2CCOC2)n1
InChIInChI=1S/C9H11NO4/c11-9(12)7-5-14-8(10-7)3-6-1-2-13-4-6/h5-6H,1-4H2,(H,11,12)
InChIKeyBEXZDAFBCKPBCC-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.95
Rot. Bonds3

About 2-(oxolan-3-ylmethyl)-1,3-oxazole-4-carboxylic acid

2-(oxolan-3-ylmethyl)-1,3-oxazole-4-carboxylic acid (PubChem CID 115082408) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-(oxolan-3-ylmethyl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(oxolan-3-ylmethyl)-1,3-oxazole-4-carboxylic acid
PubChem CID115082408
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name2-(oxolan-3-ylmethyl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(CC2CCOC2)n1
InChIInChI=1S/C9H11NO4/c11-9(12)7-5-14-8(10-7)3-6-1-2-13-4-6/h5-6H,1-4H2,(H,11,12)
InChIKeyBEXZDAFBCKPBCC-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxan-4-ylmethyl)-1,3-oxazole-4-carboxylic acid
CID 115082568
2-(cyclopentylmethyl)-1,3-oxazole-4-carboxylic acid
CID 62234263
1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]propan-2-one
CID 115082311
2-[(1,1-dioxothian-3-yl)methyl]-1,3-oxazole-4-carboxylic acid
CID 115083491
1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]propan-2-ol
CID 115082297
2-(oxolan-3-yl)-1,3-oxazole-4-carboxylic acid
CID 62234864
2-(thian-2-ylmethyl)-1,3-oxazole-4-carboxylic acid
CID 115083332
N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]ethanamine
CID 115082353
1-[2-(oxan-4-ylmethyl)-1,3-oxazol-4-yl]ethanol
CID 115082429
2-(oxan-3-yl)-1,3-oxazole-4-carboxylic acid
CID 63014929
1-[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]ethanone
CID 115082455
2-(oxan-4-ylmethyl)-1,3-oxazole-4-carbaldehyde
CID 115082442

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-ylmethyl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(oxolan-3-ylmethyl)-1,3-oxazole-4-carboxylic acid (CID 115082408) is 2-(oxolan-3-ylmethyl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(oxolan-3-ylmethyl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(oxolan-3-ylmethyl)-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(CC2CCOC2)n1.
What is the InChIKey of 2-(oxolan-3-ylmethyl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is BEXZDAFBCKPBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c11-9(12)7-5-14-8(10-7)3-6-1-2-13-4-6/h5-6H,1-4H2,(H,11,12).
What are the key properties of 2-(oxolan-3-ylmethyl)-1,3-oxazole-4-carboxylic acid?
2-(oxolan-3-ylmethyl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 197.19 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-ylmethyl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 115082408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).