furan-2-yl-(5-methyl-1,2-oxazol-4-yl)methanone

C9H7NO3 — CID 82280556

IUPACfuran-2-yl-(5-methyl-1,2-oxazol-4-yl)methanone
SMILESCc1oncc1C(=O)c1ccco1
InChIInChI=1S/C9H7NO3/c1-6-7(5-10-13-6)9(11)8-3-2-4-12-8/h2-5H,1H3
InChIKeyQWNDDEDJSGEJRR-UHFFFAOYSA-N
MW177.16 g/mol
LogP1.81
Rot. Bonds2

About furan-2-yl-(5-methyl-1,2-oxazol-4-yl)methanone

furan-2-yl-(5-methyl-1,2-oxazol-4-yl)methanone (PubChem CID 82280556) has the molecular formula C9H7NO3 and a molecular weight of 177.16 g/mol. Its IUPAC name is furan-2-yl-(5-methyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Namefuran-2-yl-(5-methyl-1,2-oxazol-4-yl)methanone
PubChem CID82280556
Molecular FormulaC9H7NO3
Molecular Weight177.16 g/mol
Exact Mass177.04
IUPAC Namefuran-2-yl-(5-methyl-1,2-oxazol-4-yl)methanone
SMILESCc1oncc1C(=O)c1ccco1
InChIInChI=1S/C9H7NO3/c1-6-7(5-10-13-6)9(11)8-3-2-4-12-8/h2-5H,1H3
InChIKeyQWNDDEDJSGEJRR-UHFFFAOYSA-N
XLogP1.81
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-(5-methyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of furan-2-yl-(5-methyl-1,2-oxazol-4-yl)methanone (CID 82280556) is furan-2-yl-(5-methyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for furan-2-yl-(5-methyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for furan-2-yl-(5-methyl-1,2-oxazol-4-yl)methanone is Cc1oncc1C(=O)c1ccco1.
What is the InChIKey of furan-2-yl-(5-methyl-1,2-oxazol-4-yl)methanone?
The InChIKey is QWNDDEDJSGEJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3/c1-6-7(5-10-13-6)9(11)8-3-2-4-12-8/h2-5H,1H3.
What are the key properties of furan-2-yl-(5-methyl-1,2-oxazol-4-yl)methanone?
furan-2-yl-(5-methyl-1,2-oxazol-4-yl)methanone has a molecular weight of 177.16 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-(5-methyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 82280556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).