(2-benzyl-4-pyridinyl)-[3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone

C28H26ClN3O2 — CID 110075993

IUPAC(2-benzyl-4-pyridinyl)-[3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccnc(Cc2ccccc2)c1)N1CCCC(c2ncc(Cc3cccc(Cl)c3)o2)C1
InChIInChI=1S/C28H26ClN3O2/c29-24-10-4-8-21(14-24)16-26-18-31-27(34-26)23-9-5-13-32(19-23)28(33)22-11-12-30-25(17-22)15-20-6-2-1-3-7-20/h1-4,6-8,10-12,14,17-18,23H,5,9,13,15-16,19H2
InChIKeySNCLWQMIQQAEDF-UHFFFAOYSA-N
MW471.99 g/mol
LogP5.92
Rot. Bonds6

About (2-benzyl-4-pyridinyl)-[3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone

(2-benzyl-4-pyridinyl)-[3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone (PubChem CID 110075993) has the molecular formula C28H26ClN3O2 and a molecular weight of 471.99 g/mol. Its IUPAC name is (2-benzyl-4-pyridinyl)-[3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-benzyl-4-pyridinyl)-[3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
PubChem CID110075993
Molecular FormulaC28H26ClN3O2
Molecular Weight471.99 g/mol
Exact Mass471.17
IUPAC Name(2-benzyl-4-pyridinyl)-[3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccnc(Cc2ccccc2)c1)N1CCCC(c2ncc(Cc3cccc(Cl)c3)o2)C1
InChIInChI=1S/C28H26ClN3O2/c29-24-10-4-8-21(14-24)16-26-18-31-27(34-26)23-9-5-13-32(19-23)28(33)22-11-12-30-25(17-22)15-20-6-2-1-3-7-20/h1-4,6-8,10-12,14,17-18,23H,5,9,13,15-16,19H2
InChIKeySNCLWQMIQQAEDF-UHFFFAOYSA-N
XLogP5.92
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.99
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-benzyl-4-pyridinyl)-[3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-benzyl-4-pyridinyl)-[3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone (CID 110075993) is (2-benzyl-4-pyridinyl)-[3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-benzyl-4-pyridinyl)-[3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-benzyl-4-pyridinyl)-[3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone is O=C(c1ccnc(Cc2ccccc2)c1)N1CCCC(c2ncc(Cc3cccc(Cl)c3)o2)C1.
What is the InChIKey of (2-benzyl-4-pyridinyl)-[3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is SNCLWQMIQQAEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN3O2/c29-24-10-4-8-21(14-24)16-26-18-31-27(34-26)23-9-5-13-32(19-23)28(33)22-11-12-30-25(17-22)15-20-6-2-1-3-7-20/h1-4,6-8,10-12,14,17-18,23H,5,9,13,15-16,19H2.
What are the key properties of (2-benzyl-4-pyridinyl)-[3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?
(2-benzyl-4-pyridinyl)-[3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 471.99 g/mol, XLogP of 5.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-4-pyridinyl)-[3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 110075993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).