2-(furan-2-yl)-4-(2-methylpropyl)-4H-1,3-oxazol-5-one

C11H13NO3 — CID 166446144

IUPAC2-(furan-2-yl)-4-(2-methylpropyl)-4H-1,3-oxazol-5-one
SMILESCC(C)CC1N=C(c2ccco2)OC1=O
InChIInChI=1S/C11H13NO3/c1-7(2)6-8-11(13)15-10(12-8)9-4-3-5-14-9/h3-5,7-8H,6H2,1-2H3
InChIKeySDKZJEJMRAUOGX-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.00
Rot. Bonds3

About 2-(furan-2-yl)-4-(2-methylpropyl)-4H-1,3-oxazol-5-one

2-(furan-2-yl)-4-(2-methylpropyl)-4H-1,3-oxazol-5-one (PubChem CID 166446144) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-(2-methylpropyl)-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-(furan-2-yl)-4-(2-methylpropyl)-4H-1,3-oxazol-5-one
PubChem CID166446144
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-(furan-2-yl)-4-(2-methylpropyl)-4H-1,3-oxazol-5-one
SMILESCC(C)CC1N=C(c2ccco2)OC1=O
InChIInChI=1S/C11H13NO3/c1-7(2)6-8-11(13)15-10(12-8)9-4-3-5-14-9/h3-5,7-8H,6H2,1-2H3
InChIKeySDKZJEJMRAUOGX-UHFFFAOYSA-N
XLogP2.00
TPSA51.80 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 ≤ 52.00
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-(2-methylpropyl)-4H-1,3-oxazol-5-one?
The IUPAC name of 2-(furan-2-yl)-4-(2-methylpropyl)-4H-1,3-oxazol-5-one (CID 166446144) is 2-(furan-2-yl)-4-(2-methylpropyl)-4H-1,3-oxazol-5-one.
What is the SMILES notation for 2-(furan-2-yl)-4-(2-methylpropyl)-4H-1,3-oxazol-5-one?
The canonical SMILES for 2-(furan-2-yl)-4-(2-methylpropyl)-4H-1,3-oxazol-5-one is CC(C)CC1N=C(c2ccco2)OC1=O.
What is the InChIKey of 2-(furan-2-yl)-4-(2-methylpropyl)-4H-1,3-oxazol-5-one?
The InChIKey is SDKZJEJMRAUOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-7(2)6-8-11(13)15-10(12-8)9-4-3-5-14-9/h3-5,7-8H,6H2,1-2H3.
What are the key properties of 2-(furan-2-yl)-4-(2-methylpropyl)-4H-1,3-oxazol-5-one?
2-(furan-2-yl)-4-(2-methylpropyl)-4H-1,3-oxazol-5-one has a molecular weight of 207.23 g/mol, XLogP of 2.00, 3 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-(2-methylpropyl)-4H-1,3-oxazol-5-one is sourced from PubChem (CID 166446144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).