1-[[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine

C15H18FN3O — CID 131701357

IUPAC1-[[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine
SMILESNC1CCN(Cc2ncoc2-c2ccc(F)cc2)CC1
InChIInChI=1S/C15H18FN3O/c16-12-3-1-11(2-4-12)15-14(18-10-20-15)9-19-7-5-13(17)6-8-19/h1-4,10,13H,5-9,17H2
InChIKeyIQFLWVBQEBAWRJ-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.40
Rot. Bonds3

About 1-[[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine

1-[[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine (PubChem CID 131701357) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 1-[[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine
PubChem CID131701357
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name1-[[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine
SMILESNC1CCN(Cc2ncoc2-c2ccc(F)cc2)CC1
InChIInChI=1S/C15H18FN3O/c16-12-3-1-11(2-4-12)15-14(18-10-20-15)9-19-7-5-13(17)6-8-19/h1-4,10,13H,5-9,17H2
InChIKeyIQFLWVBQEBAWRJ-UHFFFAOYSA-N
XLogP2.40
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine?
The IUPAC name of 1-[[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine (CID 131701357) is 1-[[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-[[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine?
The canonical SMILES for 1-[[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine is NC1CCN(Cc2ncoc2-c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine?
The InChIKey is IQFLWVBQEBAWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c16-12-3-1-11(2-4-12)15-14(18-10-20-15)9-19-7-5-13(17)6-8-19/h1-4,10,13H,5-9,17H2.
What are the key properties of 1-[[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine?
1-[[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine has a molecular weight of 275.33 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 131701357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).