[2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-isoquinolin-1-ylmethanone

C25H22ClN3O2 — CID 110120604

IUPAC[2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-isoquinolin-1-ylmethanone
SMILESO=C(c1nccc2ccccc12)N1CCCCC1c1ncc(Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C25H22ClN3O2/c26-19-10-8-17(9-11-19)15-20-16-28-24(31-20)22-7-3-4-14-29(22)25(30)23-21-6-2-1-5-18(21)12-13-27-23/h1-2,5-6,8-13,16,22H,3-4,7,14-15H2
InChIKeyFNUHINOMQZVIHB-UHFFFAOYSA-N
MW431.92 g/mol
LogP5.83
Rot. Bonds4

About [2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-isoquinolin-1-ylmethanone

[2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-isoquinolin-1-ylmethanone (PubChem CID 110120604) has the molecular formula C25H22ClN3O2 and a molecular weight of 431.92 g/mol. Its IUPAC name is [2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-isoquinolin-1-ylmethanone.

Molecular Properties

Compound Name[2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-isoquinolin-1-ylmethanone
PubChem CID110120604
Molecular FormulaC25H22ClN3O2
Molecular Weight431.92 g/mol
Exact Mass431.14
IUPAC Name[2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-isoquinolin-1-ylmethanone
SMILESO=C(c1nccc2ccccc12)N1CCCCC1c1ncc(Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C25H22ClN3O2/c26-19-10-8-17(9-11-19)15-20-16-28-24(31-20)22-7-3-4-14-29(22)25(30)23-21-6-2-1-5-18(21)12-13-27-23/h1-2,5-6,8-13,16,22H,3-4,7,14-15H2
InChIKeyFNUHINOMQZVIHB-UHFFFAOYSA-N
XLogP5.83
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.92
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-isoquinolin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-isoquinolin-1-ylmethanone
CID 124954942
[2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 110120660
[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 125013086
[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone
CID 124981728
[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 124954588
[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone
CID 125016877
[2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(1,3-thiazol-5-yl)-3-pyridinyl]methanone
CID 110121419
[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 124987887
[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone
CID 124986148
[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrimidin-2-ylmethanone
CID 124957841
[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 124959977
[(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 124970649

Frequently Asked Questions

What is the IUPAC name of [2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-isoquinolin-1-ylmethanone?
The IUPAC name of [2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-isoquinolin-1-ylmethanone (CID 110120604) is [2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-isoquinolin-1-ylmethanone.
What is the SMILES notation for [2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-isoquinolin-1-ylmethanone?
The canonical SMILES for [2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-isoquinolin-1-ylmethanone is O=C(c1nccc2ccccc12)N1CCCCC1c1ncc(Cc2ccc(Cl)cc2)o1.
What is the InChIKey of [2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-isoquinolin-1-ylmethanone?
The InChIKey is FNUHINOMQZVIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O2/c26-19-10-8-17(9-11-19)15-20-16-28-24(31-20)22-7-3-4-14-29(22)25(30)23-21-6-2-1-5-18(21)12-13-27-23/h1-2,5-6,8-13,16,22H,3-4,7,14-15H2.
What are the key properties of [2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-isoquinolin-1-ylmethanone?
[2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-isoquinolin-1-ylmethanone has a molecular weight of 431.92 g/mol, XLogP of 5.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-isoquinolin-1-ylmethanone is sourced from PubChem (CID 110120604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).