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

C21H21FN2O2 — CID 59486762

IUPAC5-(4-fluorophenyl)-4-(4-methoxyphenyl)-2-piperidin-4-yl-1,3-oxazole
SMILESCOc1ccc(-c2nc(C3CCNCC3)oc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C21H21FN2O2/c1-25-18-8-4-14(5-9-18)19-20(15-2-6-17(22)7-3-15)26-21(24-19)16-10-12-23-13-11-16/h2-9,16,23H,10-13H2,1H3
InChIKeyMSCHGEPGMBBQHD-UHFFFAOYSA-N
MW352.41 g/mol
LogP4.62
Rot. Bonds4

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

5-(4-fluorophenyl)-4-(4-methoxyphenyl)-2-piperidin-4-yl-1,3-oxazole (PubChem CID 59486762) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-(4-methoxyphenyl)-2-piperidin-4-yl-1,3-oxazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-(4-methoxyphenyl)-2-piperidin-4-yl-1,3-oxazole
PubChem CID59486762
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC Name5-(4-fluorophenyl)-4-(4-methoxyphenyl)-2-piperidin-4-yl-1,3-oxazole
SMILESCOc1ccc(-c2nc(C3CCNCC3)oc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C21H21FN2O2/c1-25-18-8-4-14(5-9-18)19-20(15-2-6-17(22)7-3-15)26-21(24-19)16-10-12-23-13-11-16/h2-9,16,23H,10-13H2,1H3
InChIKeyMSCHGEPGMBBQHD-UHFFFAOYSA-N
XLogP4.62
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-(4-methoxyphenyl)-2-piperidin-4-yl-1,3-oxazole?
The IUPAC name of 5-(4-fluorophenyl)-4-(4-methoxyphenyl)-2-piperidin-4-yl-1,3-oxazole (CID 59486762) is 5-(4-fluorophenyl)-4-(4-methoxyphenyl)-2-piperidin-4-yl-1,3-oxazole.
What is the SMILES notation for 5-(4-fluorophenyl)-4-(4-methoxyphenyl)-2-piperidin-4-yl-1,3-oxazole?
The canonical SMILES for 5-(4-fluorophenyl)-4-(4-methoxyphenyl)-2-piperidin-4-yl-1,3-oxazole is COc1ccc(-c2nc(C3CCNCC3)oc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-(4-methoxyphenyl)-2-piperidin-4-yl-1,3-oxazole?
The InChIKey is MSCHGEPGMBBQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2/c1-25-18-8-4-14(5-9-18)19-20(15-2-6-17(22)7-3-15)26-21(24-19)16-10-12-23-13-11-16/h2-9,16,23H,10-13H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-4-(4-methoxyphenyl)-2-piperidin-4-yl-1,3-oxazole?
5-(4-fluorophenyl)-4-(4-methoxyphenyl)-2-piperidin-4-yl-1,3-oxazole has a molecular weight of 352.41 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-(4-methoxyphenyl)-2-piperidin-4-yl-1,3-oxazole is sourced from PubChem (CID 59486762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).