3-(4-fluorophenyl)-5-piperidin-4-yl-1,2-oxazole

C14H15FN2O — CID 170765884

IUPAC3-(4-fluorophenyl)-5-piperidin-4-yl-1,2-oxazole
SMILESFc1ccc(-c2cc(C3CCNCC3)on2)cc1
InChIInChI=1S/C14H15FN2O/c15-12-3-1-10(2-4-12)13-9-14(18-17-13)11-5-7-16-8-6-11/h1-4,9,11,16H,5-8H2
InChIKeyXOMMRTWHOBUXLQ-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.95
Rot. Bonds2

About 3-(4-fluorophenyl)-5-piperidin-4-yl-1,2-oxazole

3-(4-fluorophenyl)-5-piperidin-4-yl-1,2-oxazole (PubChem CID 170765884) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-piperidin-4-yl-1,2-oxazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-piperidin-4-yl-1,2-oxazole
PubChem CID170765884
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name3-(4-fluorophenyl)-5-piperidin-4-yl-1,2-oxazole
SMILESFc1ccc(-c2cc(C3CCNCC3)on2)cc1
InChIInChI=1S/C14H15FN2O/c15-12-3-1-10(2-4-12)13-9-14(18-17-13)11-5-7-16-8-6-11/h1-4,9,11,16H,5-8H2
InChIKeyXOMMRTWHOBUXLQ-UHFFFAOYSA-N
XLogP2.95
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-piperidin-4-yl-1,2-oxazole?
The IUPAC name of 3-(4-fluorophenyl)-5-piperidin-4-yl-1,2-oxazole (CID 170765884) is 3-(4-fluorophenyl)-5-piperidin-4-yl-1,2-oxazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-piperidin-4-yl-1,2-oxazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-piperidin-4-yl-1,2-oxazole is Fc1ccc(-c2cc(C3CCNCC3)on2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-piperidin-4-yl-1,2-oxazole?
The InChIKey is XOMMRTWHOBUXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c15-12-3-1-10(2-4-12)13-9-14(18-17-13)11-5-7-16-8-6-11/h1-4,9,11,16H,5-8H2.
What are the key properties of 3-(4-fluorophenyl)-5-piperidin-4-yl-1,2-oxazole?
3-(4-fluorophenyl)-5-piperidin-4-yl-1,2-oxazole has a molecular weight of 246.28 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-piperidin-4-yl-1,2-oxazole is sourced from PubChem (CID 170765884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).