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

C20H19FN2O — CID 166226623

IUPAC3-(3-fluorophenyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutan-1-amine
SMILESFc1cccc(C2CC(NCc3cc(-c4ccccc4)on3)C2)c1
InChIInChI=1S/C20H19FN2O/c21-17-8-4-7-15(9-17)16-10-18(11-16)22-13-19-12-20(24-23-19)14-5-2-1-3-6-14/h1-9,12,16,18,22H,10-11,13H2
InChIKeyOLQGYEDHUKDLDF-UHFFFAOYSA-N
MW322.38 g/mol
LogP4.52
Rot. Bonds5

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

3-(3-fluorophenyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutan-1-amine (PubChem CID 166226623) has the molecular formula C20H19FN2O and a molecular weight of 322.38 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutan-1-amine
PubChem CID166226623
Molecular FormulaC20H19FN2O
Molecular Weight322.38 g/mol
Exact Mass322.15
IUPAC Name3-(3-fluorophenyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutan-1-amine
SMILESFc1cccc(C2CC(NCc3cc(-c4ccccc4)on3)C2)c1
InChIInChI=1S/C20H19FN2O/c21-17-8-4-7-15(9-17)16-10-18(11-16)22-13-19-12-20(24-23-19)14-5-2-1-3-6-14/h1-9,12,16,18,22H,10-11,13H2
InChIKeyOLQGYEDHUKDLDF-UHFFFAOYSA-N
XLogP4.52
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-(3-fluorophenyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutan-1-amine (CID 166226623) is 3-(3-fluorophenyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-(3-fluorophenyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutan-1-amine is Fc1cccc(C2CC(NCc3cc(-c4ccccc4)on3)C2)c1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutan-1-amine?
The InChIKey is OLQGYEDHUKDLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O/c21-17-8-4-7-15(9-17)16-10-18(11-16)22-13-19-12-20(24-23-19)14-5-2-1-3-6-14/h1-9,12,16,18,22H,10-11,13H2.
What are the key properties of 3-(3-fluorophenyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutan-1-amine?
3-(3-fluorophenyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutan-1-amine has a molecular weight of 322.38 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 166226623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).