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

C15H19FN2O — CID 115061970

IUPAC4-(3-fluorophenyl)-2-(piperidin-4-ylmethyl)-4,5-dihydro-1,3-oxazole
SMILESFc1cccc(C2COC(CC3CCNCC3)=N2)c1
InChIInChI=1S/C15H19FN2O/c16-13-3-1-2-12(9-13)14-10-19-15(18-14)8-11-4-6-17-7-5-11/h1-3,9,11,14,17H,4-8,10H2
InChIKeySJDQZTCXXNOBFE-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.69
Rot. Bonds3

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

4-(3-fluorophenyl)-2-(piperidin-4-ylmethyl)-4,5-dihydro-1,3-oxazole (PubChem CID 115061970) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-2-(piperidin-4-ylmethyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-(3-fluorophenyl)-2-(piperidin-4-ylmethyl)-4,5-dihydro-1,3-oxazole
PubChem CID115061970
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name4-(3-fluorophenyl)-2-(piperidin-4-ylmethyl)-4,5-dihydro-1,3-oxazole
SMILESFc1cccc(C2COC(CC3CCNCC3)=N2)c1
InChIInChI=1S/C15H19FN2O/c16-13-3-1-2-12(9-13)14-10-19-15(18-14)8-11-4-6-17-7-5-11/h1-3,9,11,14,17H,4-8,10H2
InChIKeySJDQZTCXXNOBFE-UHFFFAOYSA-N
XLogP2.69
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-2-(piperidin-4-ylmethyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-(3-fluorophenyl)-2-(piperidin-4-ylmethyl)-4,5-dihydro-1,3-oxazole (CID 115061970) is 4-(3-fluorophenyl)-2-(piperidin-4-ylmethyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-(3-fluorophenyl)-2-(piperidin-4-ylmethyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-(3-fluorophenyl)-2-(piperidin-4-ylmethyl)-4,5-dihydro-1,3-oxazole is Fc1cccc(C2COC(CC3CCNCC3)=N2)c1.
What is the InChIKey of 4-(3-fluorophenyl)-2-(piperidin-4-ylmethyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is SJDQZTCXXNOBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c16-13-3-1-2-12(9-13)14-10-19-15(18-14)8-11-4-6-17-7-5-11/h1-3,9,11,14,17H,4-8,10H2.
What are the key properties of 4-(3-fluorophenyl)-2-(piperidin-4-ylmethyl)-4,5-dihydro-1,3-oxazole?
4-(3-fluorophenyl)-2-(piperidin-4-ylmethyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 262.33 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-2-(piperidin-4-ylmethyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 115061970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).