5-[1-(furan-3-yl)-1-methoxyethyl]-4-methyl-1,3-oxazole

C11H13NO3 — CID 18936285

IUPAC5-[1-(furan-3-yl)-1-methoxyethyl]-4-methyl-1,3-oxazole
SMILESCOC(C)(c1ccoc1)c1ocnc1C
InChIInChI=1S/C11H13NO3/c1-8-10(15-7-12-8)11(2,13-3)9-4-5-14-6-9/h4-7H,1-3H3
InChIKeyJNDVUHVAVOBUBI-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.49
Rot. Bonds3

About 5-[1-(furan-3-yl)-1-methoxyethyl]-4-methyl-1,3-oxazole

5-[1-(furan-3-yl)-1-methoxyethyl]-4-methyl-1,3-oxazole (PubChem CID 18936285) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 5-[1-(furan-3-yl)-1-methoxyethyl]-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name5-[1-(furan-3-yl)-1-methoxyethyl]-4-methyl-1,3-oxazole
PubChem CID18936285
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name5-[1-(furan-3-yl)-1-methoxyethyl]-4-methyl-1,3-oxazole
SMILESCOC(C)(c1ccoc1)c1ocnc1C
InChIInChI=1S/C11H13NO3/c1-8-10(15-7-12-8)11(2,13-3)9-4-5-14-6-9/h4-7H,1-3H3
InChIKeyJNDVUHVAVOBUBI-UHFFFAOYSA-N
XLogP2.49
TPSA48.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(furan-3-yl)-1-methoxyethyl]-4-methyl-1,3-oxazole?
The IUPAC name of 5-[1-(furan-3-yl)-1-methoxyethyl]-4-methyl-1,3-oxazole (CID 18936285) is 5-[1-(furan-3-yl)-1-methoxyethyl]-4-methyl-1,3-oxazole.
What is the SMILES notation for 5-[1-(furan-3-yl)-1-methoxyethyl]-4-methyl-1,3-oxazole?
The canonical SMILES for 5-[1-(furan-3-yl)-1-methoxyethyl]-4-methyl-1,3-oxazole is COC(C)(c1ccoc1)c1ocnc1C.
What is the InChIKey of 5-[1-(furan-3-yl)-1-methoxyethyl]-4-methyl-1,3-oxazole?
The InChIKey is JNDVUHVAVOBUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-8-10(15-7-12-8)11(2,13-3)9-4-5-14-6-9/h4-7H,1-3H3.
What are the key properties of 5-[1-(furan-3-yl)-1-methoxyethyl]-4-methyl-1,3-oxazole?
5-[1-(furan-3-yl)-1-methoxyethyl]-4-methyl-1,3-oxazole has a molecular weight of 207.23 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(furan-3-yl)-1-methoxyethyl]-4-methyl-1,3-oxazole is sourced from PubChem (CID 18936285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).