5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-4-methyl-1,3-oxazole

C17H21FN2O2 — CID 126829118

IUPAC5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-4-methyl-1,3-oxazole
SMILESCc1ncoc1CN1CCC(OCc2ccccc2F)CC1
InChIInChI=1S/C17H21FN2O2/c1-13-17(22-12-19-13)10-20-8-6-15(7-9-20)21-11-14-4-2-3-5-16(14)18/h2-5,12,15H,6-11H2,1H3
InChIKeyOICPLOHRXDPDQN-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.30
Rot. Bonds5

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

5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-4-methyl-1,3-oxazole (PubChem CID 126829118) has the molecular formula C17H21FN2O2 and a molecular weight of 304.36 g/mol. Its IUPAC name is 5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-4-methyl-1,3-oxazole
PubChem CID126829118
Molecular FormulaC17H21FN2O2
Molecular Weight304.36 g/mol
Exact Mass304.16
IUPAC Name5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-4-methyl-1,3-oxazole
SMILESCc1ncoc1CN1CCC(OCc2ccccc2F)CC1
InChIInChI=1S/C17H21FN2O2/c1-13-17(22-12-19-13)10-20-8-6-15(7-9-20)21-11-14-4-2-3-5-16(14)18/h2-5,12,15H,6-11H2,1H3
InChIKeyOICPLOHRXDPDQN-UHFFFAOYSA-N
XLogP3.30
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-4-methyl-1,3-oxazole?
The IUPAC name of 5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-4-methyl-1,3-oxazole (CID 126829118) is 5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-4-methyl-1,3-oxazole.
What is the SMILES notation for 5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-4-methyl-1,3-oxazole?
The canonical SMILES for 5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-4-methyl-1,3-oxazole is Cc1ncoc1CN1CCC(OCc2ccccc2F)CC1.
What is the InChIKey of 5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-4-methyl-1,3-oxazole?
The InChIKey is OICPLOHRXDPDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-13-17(22-12-19-13)10-20-8-6-15(7-9-20)21-11-14-4-2-3-5-16(14)18/h2-5,12,15H,6-11H2,1H3.
What are the key properties of 5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-4-methyl-1,3-oxazole?
5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-4-methyl-1,3-oxazole has a molecular weight of 304.36 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-4-methyl-1,3-oxazole is sourced from PubChem (CID 126829118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).