[2-[[4-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-quinolin-2-ylmethanone

C25H22FN3O2 — CID 10112531

IUPAC[2-[[4-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-quinolin-2-ylmethanone
SMILESO=C(c1ccc2ccccc2n1)N1CCCCC1Cc1nc(-c2ccc(F)cc2)co1
InChIInChI=1S/C25H22FN3O2/c26-19-11-8-18(9-12-19)23-16-31-24(28-23)15-20-6-3-4-14-29(20)25(30)22-13-10-17-5-1-2-7-21(17)27-22/h1-2,5,7-13,16,20H,3-4,6,14-15H2
InChIKeyZRIMLQNAQYEUFU-UHFFFAOYSA-N
MW415.47 g/mol
LogP5.27
Rot. Bonds4

About [2-[[4-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-quinolin-2-ylmethanone

[2-[[4-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-quinolin-2-ylmethanone (PubChem CID 10112531) has the molecular formula C25H22FN3O2 and a molecular weight of 415.47 g/mol. Its IUPAC name is [2-[[4-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-quinolin-2-ylmethanone.

Molecular Properties

Compound Name[2-[[4-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-quinolin-2-ylmethanone
PubChem CID10112531
Molecular FormulaC25H22FN3O2
Molecular Weight415.47 g/mol
Exact Mass415.17
IUPAC Name[2-[[4-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-quinolin-2-ylmethanone
SMILESO=C(c1ccc2ccccc2n1)N1CCCCC1Cc1nc(-c2ccc(F)cc2)co1
InChIInChI=1S/C25H22FN3O2/c26-19-11-8-18(9-12-19)23-16-31-24(28-23)15-20-6-3-4-14-29(20)25(30)22-13-10-17-5-1-2-7-21(17)27-22/h1-2,5,7-13,16,20H,3-4,6,14-15H2
InChIKeyZRIMLQNAQYEUFU-UHFFFAOYSA-N
XLogP5.27
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.47
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[[4-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-quinolin-2-ylmethanone?
The IUPAC name of [2-[[4-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-quinolin-2-ylmethanone (CID 10112531) is [2-[[4-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-quinolin-2-ylmethanone.
What is the SMILES notation for [2-[[4-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-quinolin-2-ylmethanone?
The canonical SMILES for [2-[[4-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-quinolin-2-ylmethanone is O=C(c1ccc2ccccc2n1)N1CCCCC1Cc1nc(-c2ccc(F)cc2)co1.
What is the InChIKey of [2-[[4-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-quinolin-2-ylmethanone?
The InChIKey is ZRIMLQNAQYEUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O2/c26-19-11-8-18(9-12-19)23-16-31-24(28-23)15-20-6-3-4-14-29(20)25(30)22-13-10-17-5-1-2-7-21(17)27-22/h1-2,5,7-13,16,20H,3-4,6,14-15H2.
What are the key properties of [2-[[4-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-quinolin-2-ylmethanone?
[2-[[4-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-quinolin-2-ylmethanone has a molecular weight of 415.47 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-quinolin-2-ylmethanone is sourced from PubChem (CID 10112531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).