(1-fluorocyclobutyl)-[3-(prop-2-enoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone

C15H19FN2O3 — CID 131685191

IUPAC(1-fluorocyclobutyl)-[3-(prop-2-enoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
SMILESC=CCOCc1noc2c1CN(C(=O)C1(F)CCC1)CC2
InChIInChI=1S/C15H19FN2O3/c1-2-8-20-10-12-11-9-18(7-4-13(11)21-17-12)14(19)15(16)5-3-6-15/h2H,1,3-10H2
InChIKeyOXFBUEDMKQCBGL-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.15
Rot. Bonds5

About (1-fluorocyclobutyl)-[3-(prop-2-enoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone

(1-fluorocyclobutyl)-[3-(prop-2-enoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone (PubChem CID 131685191) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is (1-fluorocyclobutyl)-[3-(prop-2-enoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(1-fluorocyclobutyl)-[3-(prop-2-enoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
PubChem CID131685191
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name(1-fluorocyclobutyl)-[3-(prop-2-enoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
SMILESC=CCOCc1noc2c1CN(C(=O)C1(F)CCC1)CC2
InChIInChI=1S/C15H19FN2O3/c1-2-8-20-10-12-11-9-18(7-4-13(11)21-17-12)14(19)15(16)5-3-6-15/h2H,1,3-10H2
InChIKeyOXFBUEDMKQCBGL-UHFFFAOYSA-N
XLogP2.15
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-fluorocyclobutyl)-[3-(prop-2-enoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of (1-fluorocyclobutyl)-[3-(prop-2-enoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone (CID 131685191) is (1-fluorocyclobutyl)-[3-(prop-2-enoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for (1-fluorocyclobutyl)-[3-(prop-2-enoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for (1-fluorocyclobutyl)-[3-(prop-2-enoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone is C=CCOCc1noc2c1CN(C(=O)C1(F)CCC1)CC2.
What is the InChIKey of (1-fluorocyclobutyl)-[3-(prop-2-enoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is OXFBUEDMKQCBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-2-8-20-10-12-11-9-18(7-4-13(11)21-17-12)14(19)15(16)5-3-6-15/h2H,1,3-10H2.
What are the key properties of (1-fluorocyclobutyl)-[3-(prop-2-enoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone?
(1-fluorocyclobutyl)-[3-(prop-2-enoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 294.33 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluorocyclobutyl)-[3-(prop-2-enoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 131685191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).