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

C21H26ClN3O3 — CID 92570029

IUPAC[3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-5-yl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
SMILESO=C(c1cc(C2CCN(Cc3ccc(Cl)cc3)CC2)no1)N1CCC[C@H](O)C1
InChIInChI=1S/C21H26ClN3O3/c22-17-5-3-15(4-6-17)13-24-10-7-16(8-11-24)19-12-20(28-23-19)21(27)25-9-1-2-18(26)14-25/h3-6,12,16,18,26H,1-2,7-11,13-14H2/t18-/m0/s1
InChIKeyHOZBNBORKNWGPE-SFHVURJKSA-N
MW403.91 g/mol
LogP3.30
Rot. Bonds4

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

[3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-5-yl]-[(3S)-3-hydroxypiperidin-1-yl]methanone (PubChem CID 92570029) has the molecular formula C21H26ClN3O3 and a molecular weight of 403.91 g/mol. Its IUPAC name is [3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-5-yl]-[(3S)-3-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-5-yl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
PubChem CID92570029
Molecular FormulaC21H26ClN3O3
Molecular Weight403.91 g/mol
Exact Mass403.17
IUPAC Name[3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-5-yl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
SMILESO=C(c1cc(C2CCN(Cc3ccc(Cl)cc3)CC2)no1)N1CCC[C@H](O)C1
InChIInChI=1S/C21H26ClN3O3/c22-17-5-3-15(4-6-17)13-24-10-7-16(8-11-24)19-12-20(28-23-19)21(27)25-9-1-2-18(26)14-25/h3-6,12,16,18,26H,1-2,7-11,13-14H2/t18-/m0/s1
InChIKeyHOZBNBORKNWGPE-SFHVURJKSA-N
XLogP3.30
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-5-yl]-[(3S)-3-hydroxypiperidin-1-yl]methanone 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

[3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-5-yl]-[(3R)-3-hydroxypiperidin-1-yl]methanone
CID 92570030
[(3S)-3-hydroxypiperidin-1-yl]-[3-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,2-oxazol-5-yl]methanone
CID 92576677
[3-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone
CID 92568102
[3-[(3R)-1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
CID 92568123
[3-[(3R)-1-benzylpiperidin-3-yl]-1,2-oxazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 92574813
[3-[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 92584153
pyrrolidin-1-yl-[3-[1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone
CID 110228870
pyrrolidin-1-yl-[3-[(3R)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone
CID 92572169
[3-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
CID 92599802
[3-[1-(3-phenylpropyl)piperidin-4-yl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone
CID 92574689
[3-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 111477052
[3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
CID 92577412

Frequently Asked Questions

What is the IUPAC name of [3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-5-yl]-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The IUPAC name of [3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-5-yl]-[(3S)-3-hydroxypiperidin-1-yl]methanone (CID 92570029) is [3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-5-yl]-[(3S)-3-hydroxypiperidin-1-yl]methanone.
What is the SMILES notation for [3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-5-yl]-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for [3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-5-yl]-[(3S)-3-hydroxypiperidin-1-yl]methanone is O=C(c1cc(C2CCN(Cc3ccc(Cl)cc3)CC2)no1)N1CCC[C@H](O)C1.
What is the InChIKey of [3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-5-yl]-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The InChIKey is HOZBNBORKNWGPE-SFHVURJKSA-N. The full InChI is InChI=1S/C21H26ClN3O3/c22-17-5-3-15(4-6-17)13-24-10-7-16(8-11-24)19-12-20(28-23-19)21(27)25-9-1-2-18(26)14-25/h3-6,12,16,18,26H,1-2,7-11,13-14H2/t18-/m0/s1.
What are the key properties of [3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-5-yl]-[(3S)-3-hydroxypiperidin-1-yl]methanone?
[3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-5-yl]-[(3S)-3-hydroxypiperidin-1-yl]methanone has a molecular weight of 403.91 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-5-yl]-[(3S)-3-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 92570029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).