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

C8H9NO3 — CID 134860463

IUPAC2-(furan-2-yl)-4-methoxy-4,5-dihydro-1,3-oxazole
SMILESCOC1COC(c2ccco2)=N1
InChIInChI=1S/C8H9NO3/c1-10-7-5-12-8(9-7)6-3-2-4-11-6/h2-4,7H,5H2,1H3
InChIKeySQVPNBUHHVLCGQ-UHFFFAOYSA-N
MW167.16 g/mol
LogP1.03
Rot. Bonds2

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

2-(furan-2-yl)-4-methoxy-4,5-dihydro-1,3-oxazole (PubChem CID 134860463) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-methoxy-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(furan-2-yl)-4-methoxy-4,5-dihydro-1,3-oxazole
PubChem CID134860463
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name2-(furan-2-yl)-4-methoxy-4,5-dihydro-1,3-oxazole
SMILESCOC1COC(c2ccco2)=N1
InChIInChI=1S/C8H9NO3/c1-10-7-5-12-8(9-7)6-3-2-4-11-6/h2-4,7H,5H2,1H3
InChIKeySQVPNBUHHVLCGQ-UHFFFAOYSA-N
XLogP1.03
TPSA43.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-methoxy-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(furan-2-yl)-4-methoxy-4,5-dihydro-1,3-oxazole (CID 134860463) is 2-(furan-2-yl)-4-methoxy-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(furan-2-yl)-4-methoxy-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(furan-2-yl)-4-methoxy-4,5-dihydro-1,3-oxazole is COC1COC(c2ccco2)=N1.
What is the InChIKey of 2-(furan-2-yl)-4-methoxy-4,5-dihydro-1,3-oxazole?
The InChIKey is SQVPNBUHHVLCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-10-7-5-12-8(9-7)6-3-2-4-11-6/h2-4,7H,5H2,1H3.
What are the key properties of 2-(furan-2-yl)-4-methoxy-4,5-dihydro-1,3-oxazole?
2-(furan-2-yl)-4-methoxy-4,5-dihydro-1,3-oxazole has a molecular weight of 167.16 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-methoxy-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 134860463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).