2-(5-methylfuran-2-yl)-4,5-dihydro-1,3-oxazole

C8H9NO2 — CID 57022436

IUPAC2-(5-methylfuran-2-yl)-4,5-dihydro-1,3-oxazole
SMILESCc1ccc(C2=NCCO2)o1
InChIInChI=1S/C8H9NO2/c1-6-2-3-7(11-6)8-9-4-5-10-8/h2-3H,4-5H2,1H3
InChIKeyDEOQLEKVQDEINY-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.36
Rot. Bonds1

About 2-(5-methylfuran-2-yl)-4,5-dihydro-1,3-oxazole

2-(5-methylfuran-2-yl)-4,5-dihydro-1,3-oxazole (PubChem CID 57022436) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-4,5-dihydro-1,3-oxazole
PubChem CID57022436
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name2-(5-methylfuran-2-yl)-4,5-dihydro-1,3-oxazole
SMILESCc1ccc(C2=NCCO2)o1
InChIInChI=1S/C8H9NO2/c1-6-2-3-7(11-6)8-9-4-5-10-8/h2-3H,4-5H2,1H3
InChIKeyDEOQLEKVQDEINY-UHFFFAOYSA-N
XLogP1.36
TPSA34.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(5-methylfuran-2-yl)-4,5-dihydro-1,3-oxazole (CID 57022436) is 2-(5-methylfuran-2-yl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(5-methylfuran-2-yl)-4,5-dihydro-1,3-oxazole is Cc1ccc(C2=NCCO2)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-4,5-dihydro-1,3-oxazole?
The InChIKey is DEOQLEKVQDEINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-6-2-3-7(11-6)8-9-4-5-10-8/h2-3H,4-5H2,1H3.
What are the key properties of 2-(5-methylfuran-2-yl)-4,5-dihydro-1,3-oxazole?
2-(5-methylfuran-2-yl)-4,5-dihydro-1,3-oxazole has a molecular weight of 151.16 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 57022436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).