5-(cyclobutylmethyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

C17H19FN2O — CID 56748364

IUPAC5-(cyclobutylmethyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESFc1ccccc1-c1noc2c1CN(CC1CCC1)CC2
InChIInChI=1S/C17H19FN2O/c18-15-7-2-1-6-13(15)17-14-11-20(10-12-4-3-5-12)9-8-16(14)21-19-17/h1-2,6-7,12H,3-5,8-11H2
InChIKeyJXZNGGCRLOBLEB-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.64
Rot. Bonds3

About 5-(cyclobutylmethyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

5-(cyclobutylmethyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 56748364) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 5-(cyclobutylmethyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(cyclobutylmethyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID56748364
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name5-(cyclobutylmethyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESFc1ccccc1-c1noc2c1CN(CC1CCC1)CC2
InChIInChI=1S/C17H19FN2O/c18-15-7-2-1-6-13(15)17-14-11-20(10-12-4-3-5-12)9-8-16(14)21-19-17/h1-2,6-7,12H,3-5,8-11H2
InChIKeyJXZNGGCRLOBLEB-UHFFFAOYSA-N
XLogP3.64
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutylmethyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 5-(cyclobutylmethyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 56748364) is 5-(cyclobutylmethyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 5-(cyclobutylmethyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 5-(cyclobutylmethyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is Fc1ccccc1-c1noc2c1CN(CC1CCC1)CC2.
What is the InChIKey of 5-(cyclobutylmethyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is JXZNGGCRLOBLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c18-15-7-2-1-6-13(15)17-14-11-20(10-12-4-3-5-12)9-8-16(14)21-19-17/h1-2,6-7,12H,3-5,8-11H2.
What are the key properties of 5-(cyclobutylmethyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
5-(cyclobutylmethyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 286.35 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutylmethyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 56748364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).