1-[2-(furan-2-yl)-1,3-oxazol-4-yl]ethanone

C9H7NO3 — CID 115083525

IUPAC1-[2-(furan-2-yl)-1,3-oxazol-4-yl]ethanone
SMILESCC(=O)c1coc(-c2ccco2)n1
InChIInChI=1S/C9H7NO3/c1-6(11)7-5-13-9(10-7)8-3-2-4-12-8/h2-5H,1H3
InChIKeyWMEGBBQRZWEVCP-UHFFFAOYSA-N
MW177.16 g/mol
LogP2.14
Rot. Bonds2

About 1-[2-(furan-2-yl)-1,3-oxazol-4-yl]ethanone

1-[2-(furan-2-yl)-1,3-oxazol-4-yl]ethanone (PubChem CID 115083525) has the molecular formula C9H7NO3 and a molecular weight of 177.16 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-1,3-oxazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-1,3-oxazol-4-yl]ethanone
PubChem CID115083525
Molecular FormulaC9H7NO3
Molecular Weight177.16 g/mol
Exact Mass177.04
IUPAC Name1-[2-(furan-2-yl)-1,3-oxazol-4-yl]ethanone
SMILESCC(=O)c1coc(-c2ccco2)n1
InChIInChI=1S/C9H7NO3/c1-6(11)7-5-13-9(10-7)8-3-2-4-12-8/h2-5H,1H3
InChIKeyWMEGBBQRZWEVCP-UHFFFAOYSA-N
XLogP2.14
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]ethanone
CID 115084507
[2-(furan-2-yl)-1,3-oxazol-4-yl]methanol
CID 115083510
1-[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethanone
CID 115084393
1-[2-(furan-2-yl)-1,3-oxazol-4-yl]propan-2-amine
CID 115083602
S-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]] N,N-diethylcarbamothioate
CID 5227526
4-(furan-2-yl)pyridine-2,6-dicarboxylic acid
CID 138673812
1-[2-(dimethylamino)-1,3-oxazol-4-yl]ethanone
CID 83872709
ethane;2-(furan-2-yl)furan
CID 161366084
6-(furan-2-yl)pyridine-2-carboxylic acid
CID 24730128
6-(furan-2-yl)-2-methylpyrimidine-4-carboxylic acid
CID 121206884
ethyl 2-(furan-2-yl)-5-methyl-1,3-oxazole-4-carboxylate
CID 86067764
3-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]propanoic acid
CID 82127717

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-1,3-oxazol-4-yl]ethanone?
The IUPAC name of 1-[2-(furan-2-yl)-1,3-oxazol-4-yl]ethanone (CID 115083525) is 1-[2-(furan-2-yl)-1,3-oxazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(furan-2-yl)-1,3-oxazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(furan-2-yl)-1,3-oxazol-4-yl]ethanone is CC(=O)c1coc(-c2ccco2)n1.
What is the InChIKey of 1-[2-(furan-2-yl)-1,3-oxazol-4-yl]ethanone?
The InChIKey is WMEGBBQRZWEVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3/c1-6(11)7-5-13-9(10-7)8-3-2-4-12-8/h2-5H,1H3.
What are the key properties of 1-[2-(furan-2-yl)-1,3-oxazol-4-yl]ethanone?
1-[2-(furan-2-yl)-1,3-oxazol-4-yl]ethanone has a molecular weight of 177.16 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)-1,3-oxazol-4-yl]ethanone is sourced from PubChem (CID 115083525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).