3-[(4-benzylpiperidin-1-yl)methyl]-5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole

C22H25FN2O — CID 56636998

IUPAC3-[(4-benzylpiperidin-1-yl)methyl]-5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole
SMILESFc1ccc(C2C=C(CN3CCC(Cc4ccccc4)CC3)NO2)cc1
InChIInChI=1S/C22H25FN2O/c23-20-8-6-19(7-9-20)22-15-21(24-26-22)16-25-12-10-18(11-13-25)14-17-4-2-1-3-5-17/h1-9,15,18,22,24H,10-14,16H2
InChIKeyMXYXOIMYXSDNEP-UHFFFAOYSA-N
MW352.45 g/mol
LogP4.24
Rot. Bonds5

About 3-[(4-benzylpiperidin-1-yl)methyl]-5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole

3-[(4-benzylpiperidin-1-yl)methyl]-5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole (PubChem CID 56636998) has the molecular formula C22H25FN2O and a molecular weight of 352.45 g/mol. Its IUPAC name is 3-[(4-benzylpiperidin-1-yl)methyl]-5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-[(4-benzylpiperidin-1-yl)methyl]-5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole
PubChem CID56636998
Molecular FormulaC22H25FN2O
Molecular Weight352.45 g/mol
Exact Mass352.20
IUPAC Name3-[(4-benzylpiperidin-1-yl)methyl]-5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole
SMILESFc1ccc(C2C=C(CN3CCC(Cc4ccccc4)CC3)NO2)cc1
InChIInChI=1S/C22H25FN2O/c23-20-8-6-19(7-9-20)22-15-21(24-26-22)16-25-12-10-18(11-13-25)14-17-4-2-1-3-5-17/h1-9,15,18,22,24H,10-14,16H2
InChIKeyMXYXOIMYXSDNEP-UHFFFAOYSA-N
XLogP4.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

O-Benzhydryl-N-[1-(4-fluoro-benzyl)-piperidin-4-ylmethyl]-hydroxylamine
CID 10272588
3-[(4-Benzylpiperidin-1-yl)methyl]-5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 13178178
1-[Bis(4-fluorophenyl)methoxy]piperidine
CID 19438334
1-[(4-Fluorophenyl)-phenylmethoxy]piperidine
CID 19874237
1-[Bis(4-fluorophenyl)methoxy]-2-ethyl-4-(3-phenylpropyl)piperazine
CID 66729523
4-[bis(4-fluorophenyl)methoxyamino]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide
CID 90709418
1-[4,4-bis(4-fluorophenyl)butyl]-N-phenylmethoxy-3,6-dihydro-2H-pyridin-4-amine
CID 90754443
1-[(1S,3R)-3-[bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octan-2-ylidene]-N-methoxypropan-1-amine
CID 90756139
1-[4,4-bis(4-fluorophenyl)butyl]-N-[[3-(trifluoromethyl)phenyl]methoxy]-3,6-dihydro-2H-pyridin-4-amine
CID 90858910
1-[(1R,3R)-3-[bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octan-2-ylidene]-N-methoxypropan-1-amine
CID 91323741
1-[4,4-bis(4-fluorophenyl)butyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]-3,6-dihydro-2H-pyridin-4-amine
CID 91610873
1-[(5-Phenyl-2,5-dihydro-1,2-oxazol-3-yl)methyl]piperidin-4-ol
CID 56611195

Frequently Asked Questions

What is the IUPAC name of 3-[(4-benzylpiperidin-1-yl)methyl]-5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole?
The IUPAC name of 3-[(4-benzylpiperidin-1-yl)methyl]-5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole (CID 56636998) is 3-[(4-benzylpiperidin-1-yl)methyl]-5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-[(4-benzylpiperidin-1-yl)methyl]-5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-[(4-benzylpiperidin-1-yl)methyl]-5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole is Fc1ccc(C2C=C(CN3CCC(Cc4ccccc4)CC3)NO2)cc1.
What is the InChIKey of 3-[(4-benzylpiperidin-1-yl)methyl]-5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole?
The InChIKey is MXYXOIMYXSDNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O/c23-20-8-6-19(7-9-20)22-15-21(24-26-22)16-25-12-10-18(11-13-25)14-17-4-2-1-3-5-17/h1-9,15,18,22,24H,10-14,16H2.
What are the key properties of 3-[(4-benzylpiperidin-1-yl)methyl]-5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole?
3-[(4-benzylpiperidin-1-yl)methyl]-5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole has a molecular weight of 352.45 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-benzylpiperidin-1-yl)methyl]-5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 56636998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).