cyclopentyl-[3-(4-ethylphenyl)-5-[4-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone

C29H33FN2O2 — CID 70997601

IUPACcyclopentyl-[3-(4-ethylphenyl)-5-[4-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
SMILESCCc1ccc(C2CC(c3nc(Cc4ccc(F)cc4)co3)CN(C(=O)C3CCCC3)C2)cc1
InChIInChI=1S/C29H33FN2O2/c1-2-20-7-11-22(12-8-20)24-16-25(18-32(17-24)29(33)23-5-3-4-6-23)28-31-27(19-34-28)15-21-9-13-26(30)14-10-21/h7-14,19,23-25H,2-6,15-18H2,1H3
InChIKeyUNRKXGFFMZJEFY-UHFFFAOYSA-N
MW460.59 g/mol
LogP6.26
Rot. Bonds6

About cyclopentyl-[3-(4-ethylphenyl)-5-[4-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone

cyclopentyl-[3-(4-ethylphenyl)-5-[4-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone (PubChem CID 70997601) has the molecular formula C29H33FN2O2 and a molecular weight of 460.59 g/mol. Its IUPAC name is cyclopentyl-[3-(4-ethylphenyl)-5-[4-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[3-(4-ethylphenyl)-5-[4-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
PubChem CID70997601
Molecular FormulaC29H33FN2O2
Molecular Weight460.59 g/mol
Exact Mass460.25
IUPAC Namecyclopentyl-[3-(4-ethylphenyl)-5-[4-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
SMILESCCc1ccc(C2CC(c3nc(Cc4ccc(F)cc4)co3)CN(C(=O)C3CCCC3)C2)cc1
InChIInChI=1S/C29H33FN2O2/c1-2-20-7-11-22(12-8-20)24-16-25(18-32(17-24)29(33)23-5-3-4-6-23)28-31-27(19-34-28)15-21-9-13-26(30)14-10-21/h7-14,19,23-25H,2-6,15-18H2,1H3
InChIKeyUNRKXGFFMZJEFY-UHFFFAOYSA-N
XLogP6.26
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.59
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[3-(4-ethylphenyl)-5-[4-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[3-(4-ethylphenyl)-5-[4-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone (CID 70997601) is cyclopentyl-[3-(4-ethylphenyl)-5-[4-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[3-(4-ethylphenyl)-5-[4-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[3-(4-ethylphenyl)-5-[4-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone is CCc1ccc(C2CC(c3nc(Cc4ccc(F)cc4)co3)CN(C(=O)C3CCCC3)C2)cc1.
What is the InChIKey of cyclopentyl-[3-(4-ethylphenyl)-5-[4-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is UNRKXGFFMZJEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN2O2/c1-2-20-7-11-22(12-8-20)24-16-25(18-32(17-24)29(33)23-5-3-4-6-23)28-31-27(19-34-28)15-21-9-13-26(30)14-10-21/h7-14,19,23-25H,2-6,15-18H2,1H3.
What are the key properties of cyclopentyl-[3-(4-ethylphenyl)-5-[4-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
cyclopentyl-[3-(4-ethylphenyl)-5-[4-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 460.59 g/mol, XLogP of 6.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[3-(4-ethylphenyl)-5-[4-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 70997601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).