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

C14H17FN2O — CID 115061504

IUPAC5-(4-fluorophenyl)-2-piperidin-4-yl-4,5-dihydro-1,3-oxazole
SMILESFc1ccc(C2CN=C(C3CCNCC3)O2)cc1
InChIInChI=1S/C14H17FN2O/c15-12-3-1-10(2-4-12)13-9-17-14(18-13)11-5-7-16-8-6-11/h1-4,11,13,16H,5-9H2
InChIKeyDTAIFDRPYODRJR-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.30
Rot. Bonds2

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

5-(4-fluorophenyl)-2-piperidin-4-yl-4,5-dihydro-1,3-oxazole (PubChem CID 115061504) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-piperidin-4-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-piperidin-4-yl-4,5-dihydro-1,3-oxazole
PubChem CID115061504
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name5-(4-fluorophenyl)-2-piperidin-4-yl-4,5-dihydro-1,3-oxazole
SMILESFc1ccc(C2CN=C(C3CCNCC3)O2)cc1
InChIInChI=1S/C14H17FN2O/c15-12-3-1-10(2-4-12)13-9-17-14(18-13)11-5-7-16-8-6-11/h1-4,11,13,16H,5-9H2
InChIKeyDTAIFDRPYODRJR-UHFFFAOYSA-N
XLogP2.30
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-piperidin-4-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 5-(4-fluorophenyl)-2-piperidin-4-yl-4,5-dihydro-1,3-oxazole (CID 115061504) is 5-(4-fluorophenyl)-2-piperidin-4-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 5-(4-fluorophenyl)-2-piperidin-4-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 5-(4-fluorophenyl)-2-piperidin-4-yl-4,5-dihydro-1,3-oxazole is Fc1ccc(C2CN=C(C3CCNCC3)O2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-2-piperidin-4-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is DTAIFDRPYODRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c15-12-3-1-10(2-4-12)13-9-17-14(18-13)11-5-7-16-8-6-11/h1-4,11,13,16H,5-9H2.
What are the key properties of 5-(4-fluorophenyl)-2-piperidin-4-yl-4,5-dihydro-1,3-oxazole?
5-(4-fluorophenyl)-2-piperidin-4-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 248.30 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-piperidin-4-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 115061504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).