3-(2-fluorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine

C14H16FN3O — CID 54903319

IUPAC3-(2-fluorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine
SMILESCc1noc(CNC2CC(c3ccccc3F)C2)n1
InChIInChI=1S/C14H16FN3O/c1-9-17-14(19-18-9)8-16-11-6-10(7-11)12-4-2-3-5-13(12)15/h2-5,10-11,16H,6-8H2,1H3
InChIKeyQMRPFOGBSUFEFR-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.55
Rot. Bonds4

About 3-(2-fluorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine

3-(2-fluorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine (PubChem CID 54903319) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine
PubChem CID54903319
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name3-(2-fluorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine
SMILESCc1noc(CNC2CC(c3ccccc3F)C2)n1
InChIInChI=1S/C14H16FN3O/c1-9-17-14(19-18-9)8-16-11-6-10(7-11)12-4-2-3-5-13(12)15/h2-5,10-11,16H,6-8H2,1H3
InChIKeyQMRPFOGBSUFEFR-UHFFFAOYSA-N
XLogP2.55
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-(2-fluorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine (CID 54903319) is 3-(2-fluorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-(2-fluorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine is Cc1noc(CNC2CC(c3ccccc3F)C2)n1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine?
The InChIKey is QMRPFOGBSUFEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-9-17-14(19-18-9)8-16-11-6-10(7-11)12-4-2-3-5-13(12)15/h2-5,10-11,16H,6-8H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine?
3-(2-fluorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine has a molecular weight of 261.30 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 54903319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).