2-[[5-(1-fluorocyclobutanecarbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methoxy]-N,N-dimethylacetamide

C16H22FN3O4 — CID 131685124

IUPAC2-[[5-(1-fluorocyclobutanecarbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COCc1noc2c1CN(C(=O)C1(F)CCC1)CC2
InChIInChI=1S/C16H22FN3O4/c1-19(2)14(21)10-23-9-12-11-8-20(7-4-13(11)24-18-12)15(22)16(17)5-3-6-16/h3-10H2,1-2H3
InChIKeyJWURMVFSYREFHO-UHFFFAOYSA-N
MW339.37 g/mol
LogP1.06
Rot. Bonds5

About 2-[[5-(1-fluorocyclobutanecarbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methoxy]-N,N-dimethylacetamide

2-[[5-(1-fluorocyclobutanecarbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methoxy]-N,N-dimethylacetamide (PubChem CID 131685124) has the molecular formula C16H22FN3O4 and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-[[5-(1-fluorocyclobutanecarbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[5-(1-fluorocyclobutanecarbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methoxy]-N,N-dimethylacetamide
PubChem CID131685124
Molecular FormulaC16H22FN3O4
Molecular Weight339.37 g/mol
Exact Mass339.16
IUPAC Name2-[[5-(1-fluorocyclobutanecarbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COCc1noc2c1CN(C(=O)C1(F)CCC1)CC2
InChIInChI=1S/C16H22FN3O4/c1-19(2)14(21)10-23-9-12-11-8-20(7-4-13(11)24-18-12)15(22)16(17)5-3-6-16/h3-10H2,1-2H3
InChIKeyJWURMVFSYREFHO-UHFFFAOYSA-N
XLogP1.06
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1-fluorocyclobutanecarbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[[5-(1-fluorocyclobutanecarbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methoxy]-N,N-dimethylacetamide (CID 131685124) is 2-[[5-(1-fluorocyclobutanecarbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[5-(1-fluorocyclobutanecarbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[5-(1-fluorocyclobutanecarbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methoxy]-N,N-dimethylacetamide is CN(C)C(=O)COCc1noc2c1CN(C(=O)C1(F)CCC1)CC2.
What is the InChIKey of 2-[[5-(1-fluorocyclobutanecarbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methoxy]-N,N-dimethylacetamide?
The InChIKey is JWURMVFSYREFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O4/c1-19(2)14(21)10-23-9-12-11-8-20(7-4-13(11)24-18-12)15(22)16(17)5-3-6-16/h3-10H2,1-2H3.
What are the key properties of 2-[[5-(1-fluorocyclobutanecarbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methoxy]-N,N-dimethylacetamide?
2-[[5-(1-fluorocyclobutanecarbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methoxy]-N,N-dimethylacetamide has a molecular weight of 339.37 g/mol, XLogP of 1.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1-fluorocyclobutanecarbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 131685124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).