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

C15H19FN2O — CID 115061976

IUPAC4-(2-fluorophenyl)-2-(piperidin-4-ylmethyl)-4,5-dihydro-1,3-oxazole
SMILESFc1ccccc1C1COC(CC2CCNCC2)=N1
InChIInChI=1S/C15H19FN2O/c16-13-4-2-1-3-12(13)14-10-19-15(18-14)9-11-5-7-17-8-6-11/h1-4,11,14,17H,5-10H2
InChIKeyWSQPCKKJWPNAFV-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.69
Rot. Bonds3

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

4-(2-fluorophenyl)-2-(piperidin-4-ylmethyl)-4,5-dihydro-1,3-oxazole (PubChem CID 115061976) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2-(piperidin-4-ylmethyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2-(piperidin-4-ylmethyl)-4,5-dihydro-1,3-oxazole
PubChem CID115061976
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name4-(2-fluorophenyl)-2-(piperidin-4-ylmethyl)-4,5-dihydro-1,3-oxazole
SMILESFc1ccccc1C1COC(CC2CCNCC2)=N1
InChIInChI=1S/C15H19FN2O/c16-13-4-2-1-3-12(13)14-10-19-15(18-14)9-11-5-7-17-8-6-11/h1-4,11,14,17H,5-10H2
InChIKeyWSQPCKKJWPNAFV-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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Related Compounds

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3-(3-Fluorophenyl)morpholine hydrochloride
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3-(3,5-Difluorophenyl)morpholine hydrochloride
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(2S,3S)-3-(4-fluorophenyl)-2-methylmorpholine
CID 95437584
1-[2-(4s)-4-Phenyl-4,5-dihydrooxazol-2-ylethyl]piperidine
CID 25027203
(3S)-3-(4-fluorophenyl)morpholine
CID 22860769
5-(4-Fluorophenyl)-3,3-dimethylmorpholine
CID 24271609
(3R)-3-(4-fluorophenyl)morpholine
CID 40424141
(3R)-3-(2-Fluorophenyl)morpholine
CID 42183261
(S)-3-(2-Fluorophenyl)morpholine
CID 42183263

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-2-(piperidin-4-ylmethyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-(2-fluorophenyl)-2-(piperidin-4-ylmethyl)-4,5-dihydro-1,3-oxazole (CID 115061976) is 4-(2-fluorophenyl)-2-(piperidin-4-ylmethyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-(2-fluorophenyl)-2-(piperidin-4-ylmethyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-(2-fluorophenyl)-2-(piperidin-4-ylmethyl)-4,5-dihydro-1,3-oxazole is Fc1ccccc1C1COC(CC2CCNCC2)=N1.
What is the InChIKey of 4-(2-fluorophenyl)-2-(piperidin-4-ylmethyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is WSQPCKKJWPNAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c16-13-4-2-1-3-12(13)14-10-19-15(18-14)9-11-5-7-17-8-6-11/h1-4,11,14,17H,5-10H2.
What are the key properties of 4-(2-fluorophenyl)-2-(piperidin-4-ylmethyl)-4,5-dihydro-1,3-oxazole?
4-(2-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-(2-fluorophenyl)-2-(piperidin-4-ylmethyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 115061976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).