4-ethyl-2-[2-(furan-2-yl)ethyl]-1,3-oxazole-5-carboxylic acid

C12H13NO4 — CID 104842494

IUPAC4-ethyl-2-[2-(furan-2-yl)ethyl]-1,3-oxazole-5-carboxylic acid
SMILESCCc1nc(CCc2ccco2)oc1C(=O)O
InChIInChI=1S/C12H13NO4/c1-2-9-11(12(14)15)17-10(13-9)6-5-8-4-3-7-16-8/h3-4,7H,2,5-6H2,1H3,(H,14,15)
InChIKeyIJABPEDHHPGATR-UHFFFAOYSA-N
MW235.24 g/mol
LogP2.31
Rot. Bonds5

About 4-ethyl-2-[2-(furan-2-yl)ethyl]-1,3-oxazole-5-carboxylic acid

4-ethyl-2-[2-(furan-2-yl)ethyl]-1,3-oxazole-5-carboxylic acid (PubChem CID 104842494) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 4-ethyl-2-[2-(furan-2-yl)ethyl]-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-[2-(furan-2-yl)ethyl]-1,3-oxazole-5-carboxylic acid
PubChem CID104842494
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name4-ethyl-2-[2-(furan-2-yl)ethyl]-1,3-oxazole-5-carboxylic acid
SMILESCCc1nc(CCc2ccco2)oc1C(=O)O
InChIInChI=1S/C12H13NO4/c1-2-9-11(12(14)15)17-10(13-9)6-5-8-4-3-7-16-8/h3-4,7H,2,5-6H2,1H3,(H,14,15)
InChIKeyIJABPEDHHPGATR-UHFFFAOYSA-N
XLogP2.31
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(furan-2-yl)ethyl]-1,3-oxazole-4,5-dicarboxylic acid
CID 102953949
dimethyl 2-[2-(furan-2-yl)ethyl]-1,3-oxazole-4,5-dicarboxylate
CID 102953727
2-(3-phenylpropyl)-4-propyl-1,3-oxazole-5-carboxylic acid
CID 114373150
methyl 5-[2-(furan-2-yl)ethyl]-1,3,4-oxadiazole-2-carboxylate
CID 112618976
4-ethyl-1-(furan-2-yl)hexan-3-one
CID 105117415
2-(2-methylpropyl)furan;propanoic acid
CID 158583493
5,6-diethyl-3-(furan-2-ylmethoxy)pyridazine-4-carboxylic acid
CID 80517098
2-(2,3-dichlorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842536
2-[4-(furan-2-yl)butan-2-ylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107553533
2-(5-bromofuran-2-yl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842524
(2S)-2-(furan-2-ylmethyl)butanoic acid
CID 38989143
2-(furan-2-ylmethyl)-1,3-oxazole-5-carboxylic acid
CID 82402388

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[2-(furan-2-yl)ethyl]-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 4-ethyl-2-[2-(furan-2-yl)ethyl]-1,3-oxazole-5-carboxylic acid (CID 104842494) is 4-ethyl-2-[2-(furan-2-yl)ethyl]-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-[2-(furan-2-yl)ethyl]-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 4-ethyl-2-[2-(furan-2-yl)ethyl]-1,3-oxazole-5-carboxylic acid is CCc1nc(CCc2ccco2)oc1C(=O)O.
What is the InChIKey of 4-ethyl-2-[2-(furan-2-yl)ethyl]-1,3-oxazole-5-carboxylic acid?
The InChIKey is IJABPEDHHPGATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-2-9-11(12(14)15)17-10(13-9)6-5-8-4-3-7-16-8/h3-4,7H,2,5-6H2,1H3,(H,14,15).
What are the key properties of 4-ethyl-2-[2-(furan-2-yl)ethyl]-1,3-oxazole-5-carboxylic acid?
4-ethyl-2-[2-(furan-2-yl)ethyl]-1,3-oxazole-5-carboxylic acid has a molecular weight of 235.24 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[2-(furan-2-yl)ethyl]-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 104842494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).