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

C14H19FN2O3 — CID 131685192

IUPAC[3-(ethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-fluorocyclobutyl)methanone
SMILESCCOCc1noc2c1CN(C(=O)C1(F)CCC1)CC2
InChIInChI=1S/C14H19FN2O3/c1-2-19-9-11-10-8-17(7-4-12(10)20-16-11)13(18)14(15)5-3-6-14/h2-9H2,1H3
InChIKeyWDXJNMYXQPABQD-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.99
Rot. Bonds4

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

[3-(ethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-fluorocyclobutyl)methanone (PubChem CID 131685192) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is [3-(ethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-fluorocyclobutyl)methanone.

Molecular Properties

Compound Name[3-(ethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-fluorocyclobutyl)methanone
PubChem CID131685192
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name[3-(ethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-fluorocyclobutyl)methanone
SMILESCCOCc1noc2c1CN(C(=O)C1(F)CCC1)CC2
InChIInChI=1S/C14H19FN2O3/c1-2-19-9-11-10-8-17(7-4-12(10)20-16-11)13(18)14(15)5-3-6-14/h2-9H2,1H3
InChIKeyWDXJNMYXQPABQD-UHFFFAOYSA-N
XLogP1.99
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(ethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-fluorocyclobutyl)methanone?
The IUPAC name of [3-(ethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-fluorocyclobutyl)methanone (CID 131685192) is [3-(ethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-fluorocyclobutyl)methanone.
What is the SMILES notation for [3-(ethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-fluorocyclobutyl)methanone?
The canonical SMILES for [3-(ethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-fluorocyclobutyl)methanone is CCOCc1noc2c1CN(C(=O)C1(F)CCC1)CC2.
What is the InChIKey of [3-(ethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-fluorocyclobutyl)methanone?
The InChIKey is WDXJNMYXQPABQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-2-19-9-11-10-8-17(7-4-12(10)20-16-11)13(18)14(15)5-3-6-14/h2-9H2,1H3.
What are the key properties of [3-(ethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-fluorocyclobutyl)methanone?
[3-(ethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-fluorocyclobutyl)methanone has a molecular weight of 282.31 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-fluorocyclobutyl)methanone is sourced from PubChem (CID 131685192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).