methyl (4R)-5-(furan-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate

C9H9NO4 — CID 135027031

IUPACmethyl (4R)-5-(furan-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCOC(=O)[C@@H]1N=COC1c1ccco1
InChIInChI=1S/C9H9NO4/c1-12-9(11)7-8(14-5-10-7)6-3-2-4-13-6/h2-5,7-8H,1H3/t7-,8?/m1/s1
InChIKeySLQMJNQVNDMYPY-GVHYBUMESA-N
MW195.17 g/mol
LogP0.92
Rot. Bonds2

About methyl (4R)-5-(furan-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate

methyl (4R)-5-(furan-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate (PubChem CID 135027031) has the molecular formula C9H9NO4 and a molecular weight of 195.17 g/mol. Its IUPAC name is methyl (4R)-5-(furan-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-5-(furan-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate
PubChem CID135027031
Molecular FormulaC9H9NO4
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Namemethyl (4R)-5-(furan-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCOC(=O)[C@@H]1N=COC1c1ccco1
InChIInChI=1S/C9H9NO4/c1-12-9(11)7-8(14-5-10-7)6-3-2-4-13-6/h2-5,7-8H,1H3/t7-,8?/m1/s1
InChIKeySLQMJNQVNDMYPY-GVHYBUMESA-N
XLogP0.92
TPSA61.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (4R)-5-(furan-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl (4R)-5-(furan-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate (CID 135027031) is methyl (4R)-5-(furan-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl (4R)-5-(furan-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl (4R)-5-(furan-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate is COC(=O)[C@@H]1N=COC1c1ccco1.
What is the InChIKey of methyl (4R)-5-(furan-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
The InChIKey is SLQMJNQVNDMYPY-GVHYBUMESA-N. The full InChI is InChI=1S/C9H9NO4/c1-12-9(11)7-8(14-5-10-7)6-3-2-4-13-6/h2-5,7-8H,1H3/t7-,8?/m1/s1.
What are the key properties of methyl (4R)-5-(furan-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
methyl (4R)-5-(furan-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate has a molecular weight of 195.17 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-5-(furan-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 135027031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).