4-(furan-2-yl)-2-methyl-1,3-oxazin-6-one

C9H7NO3 — CID 132519842

IUPAC4-(furan-2-yl)-2-methyl-1,3-oxazin-6-one
SMILESCc1nc(-c2ccco2)cc(=O)o1
InChIInChI=1S/C9H7NO3/c1-6-10-7(5-9(11)13-6)8-3-2-4-12-8/h2-5H,1H3
InChIKeyKHQNRLYFTIQUCW-UHFFFAOYSA-N
MW177.16 g/mol
LogP1.60
Rot. Bonds1

About 4-(furan-2-yl)-2-methyl-1,3-oxazin-6-one

4-(furan-2-yl)-2-methyl-1,3-oxazin-6-one (PubChem CID 132519842) has the molecular formula C9H7NO3 and a molecular weight of 177.16 g/mol. Its IUPAC name is 4-(furan-2-yl)-2-methyl-1,3-oxazin-6-one.

Molecular Properties

Compound Name4-(furan-2-yl)-2-methyl-1,3-oxazin-6-one
PubChem CID132519842
Molecular FormulaC9H7NO3
Molecular Weight177.16 g/mol
Exact Mass177.04
IUPAC Name4-(furan-2-yl)-2-methyl-1,3-oxazin-6-one
SMILESCc1nc(-c2ccco2)cc(=O)o1
InChIInChI=1S/C9H7NO3/c1-6-10-7(5-9(11)13-6)8-3-2-4-12-8/h2-5H,1H3
InChIKeyKHQNRLYFTIQUCW-UHFFFAOYSA-N
XLogP1.60
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2-methyl-1,3-oxazin-6-one?
The IUPAC name of 4-(furan-2-yl)-2-methyl-1,3-oxazin-6-one (CID 132519842) is 4-(furan-2-yl)-2-methyl-1,3-oxazin-6-one.
What is the SMILES notation for 4-(furan-2-yl)-2-methyl-1,3-oxazin-6-one?
The canonical SMILES for 4-(furan-2-yl)-2-methyl-1,3-oxazin-6-one is Cc1nc(-c2ccco2)cc(=O)o1.
What is the InChIKey of 4-(furan-2-yl)-2-methyl-1,3-oxazin-6-one?
The InChIKey is KHQNRLYFTIQUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3/c1-6-10-7(5-9(11)13-6)8-3-2-4-12-8/h2-5H,1H3.
What are the key properties of 4-(furan-2-yl)-2-methyl-1,3-oxazin-6-one?
4-(furan-2-yl)-2-methyl-1,3-oxazin-6-one has a molecular weight of 177.16 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-2-methyl-1,3-oxazin-6-one is sourced from PubChem (CID 132519842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).