5-(3-fluoroazetidine-1-carbonyl)-1,2-oxazol-3-one

C7H7FN2O3 — CID 131102055

IUPAC5-(3-fluoroazetidine-1-carbonyl)-1,2-oxazol-3-one
SMILESO=C(c1cc(=O)[nH]o1)N1CC(F)C1
InChIInChI=1S/C7H7FN2O3/c8-4-2-10(3-4)7(12)5-1-6(11)9-13-5/h1,4H,2-3H2,(H,9,11)
InChIKeyZADCNNUFAUUDHB-UHFFFAOYSA-N
MW186.14 g/mol
LogP-0.24
Rot. Bonds1

About 5-(3-fluoroazetidine-1-carbonyl)-1,2-oxazol-3-one

5-(3-fluoroazetidine-1-carbonyl)-1,2-oxazol-3-one (PubChem CID 131102055) has the molecular formula C7H7FN2O3 and a molecular weight of 186.14 g/mol. Its IUPAC name is 5-(3-fluoroazetidine-1-carbonyl)-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-(3-fluoroazetidine-1-carbonyl)-1,2-oxazol-3-one
PubChem CID131102055
Molecular FormulaC7H7FN2O3
Molecular Weight186.14 g/mol
Exact Mass186.04
IUPAC Name5-(3-fluoroazetidine-1-carbonyl)-1,2-oxazol-3-one
SMILESO=C(c1cc(=O)[nH]o1)N1CC(F)C1
InChIInChI=1S/C7H7FN2O3/c8-4-2-10(3-4)7(12)5-1-6(11)9-13-5/h1,4H,2-3H2,(H,9,11)
InChIKeyZADCNNUFAUUDHB-UHFFFAOYSA-N
XLogP-0.24
TPSA66.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.14
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoroazetidine-1-carbonyl)-1,2-oxazol-3-one?
The IUPAC name of 5-(3-fluoroazetidine-1-carbonyl)-1,2-oxazol-3-one (CID 131102055) is 5-(3-fluoroazetidine-1-carbonyl)-1,2-oxazol-3-one.
What is the SMILES notation for 5-(3-fluoroazetidine-1-carbonyl)-1,2-oxazol-3-one?
The canonical SMILES for 5-(3-fluoroazetidine-1-carbonyl)-1,2-oxazol-3-one is O=C(c1cc(=O)[nH]o1)N1CC(F)C1.
What is the InChIKey of 5-(3-fluoroazetidine-1-carbonyl)-1,2-oxazol-3-one?
The InChIKey is ZADCNNUFAUUDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O3/c8-4-2-10(3-4)7(12)5-1-6(11)9-13-5/h1,4H,2-3H2,(H,9,11).
What are the key properties of 5-(3-fluoroazetidine-1-carbonyl)-1,2-oxazol-3-one?
5-(3-fluoroazetidine-1-carbonyl)-1,2-oxazol-3-one has a molecular weight of 186.14 g/mol, XLogP of -0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoroazetidine-1-carbonyl)-1,2-oxazol-3-one is sourced from PubChem (CID 131102055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).