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

C7H7NO2 — CID 11332502

IUPAC2-(furan-2-yl)-4,5-dihydro-1,3-oxazole
SMILESc1coc(C2=NCCO2)c1
InChIInChI=1S/C7H7NO2/c1-2-6(9-4-1)7-8-3-5-10-7/h1-2,4H,3,5H2
InChIKeyYQXKCIOMIMUZGT-UHFFFAOYSA-N
MW137.14 g/mol
LogP1.06
Rot. Bonds1

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

2-(furan-2-yl)-4,5-dihydro-1,3-oxazole (PubChem CID 11332502) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is 2-(furan-2-yl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(furan-2-yl)-4,5-dihydro-1,3-oxazole
PubChem CID11332502
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Name2-(furan-2-yl)-4,5-dihydro-1,3-oxazole
SMILESc1coc(C2=NCCO2)c1
InChIInChI=1S/C7H7NO2/c1-2-6(9-4-1)7-8-3-5-10-7/h1-2,4H,3,5H2
InChIKeyYQXKCIOMIMUZGT-UHFFFAOYSA-N
XLogP1.06
TPSA34.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(furan-2-yl)-4,5-dihydro-1,3-oxazole (CID 11332502) is 2-(furan-2-yl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(furan-2-yl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(furan-2-yl)-4,5-dihydro-1,3-oxazole is c1coc(C2=NCCO2)c1.
What is the InChIKey of 2-(furan-2-yl)-4,5-dihydro-1,3-oxazole?
The InChIKey is YQXKCIOMIMUZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2/c1-2-6(9-4-1)7-8-3-5-10-7/h1-2,4H,3,5H2.
What are the key properties of 2-(furan-2-yl)-4,5-dihydro-1,3-oxazole?
2-(furan-2-yl)-4,5-dihydro-1,3-oxazole has a molecular weight of 137.14 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 11332502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).