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

C15H17FN2O — CID 103096789

IUPAC3-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclobutan-1-amine
SMILESCc1cnc(CNC2CC(c3ccccc3F)C2)o1
InChIInChI=1S/C15H17FN2O/c1-10-8-18-15(19-10)9-17-12-6-11(7-12)13-4-2-3-5-14(13)16/h2-5,8,11-12,17H,6-7,9H2,1H3
InChIKeyMBXIWALSROXKSX-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.16
Rot. Bonds4

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

3-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclobutan-1-amine (PubChem CID 103096789) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclobutan-1-amine
PubChem CID103096789
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name3-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclobutan-1-amine
SMILESCc1cnc(CNC2CC(c3ccccc3F)C2)o1
InChIInChI=1S/C15H17FN2O/c1-10-8-18-15(19-10)9-17-12-6-11(7-12)13-4-2-3-5-14(13)16/h2-5,8,11-12,17H,6-7,9H2,1H3
InChIKeyMBXIWALSROXKSX-UHFFFAOYSA-N
XLogP3.16
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclobutan-1-amine (CID 103096789) is 3-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclobutan-1-amine is Cc1cnc(CNC2CC(c3ccccc3F)C2)o1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclobutan-1-amine?
The InChIKey is MBXIWALSROXKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-10-8-18-15(19-10)9-17-12-6-11(7-12)13-4-2-3-5-14(13)16/h2-5,8,11-12,17H,6-7,9H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclobutan-1-amine?
3-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclobutan-1-amine has a molecular weight of 260.31 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 103096789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).