[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-fluorophenyl)methanone

C15H16FN3O2 — CID 53014095

IUPAC[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESNc1cc(C2CCN(C(=O)c3ccc(F)cc3)CC2)no1
InChIInChI=1S/C15H16FN3O2/c16-12-3-1-11(2-4-12)15(20)19-7-5-10(6-8-19)13-9-14(17)21-18-13/h1-4,9-10H,5-8,17H2
InChIKeySHHQJKHLMLOBCZ-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.42
Rot. Bonds2

About [4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-fluorophenyl)methanone

[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 53014095) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is [4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
PubChem CID53014095
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESNc1cc(C2CCN(C(=O)c3ccc(F)cc3)CC2)no1
InChIInChI=1S/C15H16FN3O2/c16-12-3-1-11(2-4-12)15(20)19-7-5-10(6-8-19)13-9-14(17)21-18-13/h1-4,9-10H,5-8,17H2
InChIKeySHHQJKHLMLOBCZ-UHFFFAOYSA-N
XLogP2.42
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-fluorophenyl)methanone (CID 53014095) is [4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-fluorophenyl)methanone is Nc1cc(C2CCN(C(=O)c3ccc(F)cc3)CC2)no1.
What is the InChIKey of [4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is SHHQJKHLMLOBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c16-12-3-1-11(2-4-12)15(20)19-7-5-10(6-8-19)13-9-14(17)21-18-13/h1-4,9-10H,5-8,17H2.
What are the key properties of [4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-fluorophenyl)methanone?
[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 289.31 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 53014095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).