3-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]propanoic acid

C11H11NO4 — CID 82127717

IUPAC3-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]propanoic acid
SMILESCc1oc(-c2ccco2)nc1CCC(=O)O
InChIInChI=1S/C11H11NO4/c1-7-8(4-5-10(13)14)12-11(16-7)9-3-2-6-15-9/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyLYZHVQWWLLACSO-UHFFFAOYSA-N
MW221.21 g/mol
LogP2.26
Rot. Bonds4

About 3-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]propanoic acid

3-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]propanoic acid (PubChem CID 82127717) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 3-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]propanoic acid
PubChem CID82127717
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name3-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]propanoic acid
SMILESCc1oc(-c2ccco2)nc1CCC(=O)O
InChIInChI=1S/C11H11NO4/c1-7-8(4-5-10(13)14)12-11(16-7)9-3-2-6-15-9/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyLYZHVQWWLLACSO-UHFFFAOYSA-N
XLogP2.26
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]-propan-2-ylamino]acetic acid
CID 119198240
(2R)-2-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]propanoic acid
CID 119244019
3-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]propanoic acid
CID 82131267
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-(1-hydroxy-3-phenylpropan-2-yl)acetamide
CID 109387966
3-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]-methylamino]-2-methylpropanoic acid
CID 119228152
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 109388347
3-[4-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]phenyl]-2-methylpropanoic acid
CID 120541365
(2S)-2-ethoxy-2-[[4-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]butanoic acid
CID 68882694
2-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethoxy]benzonitrile
CID 23176295
ethyl 2-(furan-2-yl)-5-methyl-1,3-oxazole-4-carboxylate
CID 86067764
3-[3-ethoxy-1-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methyl]pyrazol-4-yl]propanoic acid
CID 69424011
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(methylamino)propyl]acetamide;dihydrochloride
CID 120830795

Frequently Asked Questions

What is the IUPAC name of 3-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]propanoic acid?
The IUPAC name of 3-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]propanoic acid (CID 82127717) is 3-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]propanoic acid?
The canonical SMILES for 3-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]propanoic acid is Cc1oc(-c2ccco2)nc1CCC(=O)O.
What is the InChIKey of 3-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]propanoic acid?
The InChIKey is LYZHVQWWLLACSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-7-8(4-5-10(13)14)12-11(16-7)9-3-2-6-15-9/h2-3,6H,4-5H2,1H3,(H,13,14).
What are the key properties of 3-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]propanoic acid?
3-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]propanoic acid has a molecular weight of 221.21 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]propanoic acid is sourced from PubChem (CID 82127717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).