[3-[(3R)-1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone

C20H23Cl2N3O2 — CID 92568123

IUPAC[3-[(3R)-1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc([C@@H]2CCCN(Cc3ccc(Cl)c(Cl)c3)C2)no1)N1CCCC1
InChIInChI=1S/C20H23Cl2N3O2/c21-16-6-5-14(10-17(16)22)12-24-7-3-4-15(13-24)18-11-19(27-23-18)20(26)25-8-1-2-9-25/h5-6,10-11,15H,1-4,7-9,12-13H2/t15-/m1/s1
InChIKeyNHPOBINKBGFEDW-OAHLLOKOSA-N
MW408.33 g/mol
LogP4.60
Rot. Bonds4

About [3-[(3R)-1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone

[3-[(3R)-1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 92568123) has the molecular formula C20H23Cl2N3O2 and a molecular weight of 408.33 g/mol. Its IUPAC name is [3-[(3R)-1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[(3R)-1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID92568123
Molecular FormulaC20H23Cl2N3O2
Molecular Weight408.33 g/mol
Exact Mass407.12
IUPAC Name[3-[(3R)-1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc([C@@H]2CCCN(Cc3ccc(Cl)c(Cl)c3)C2)no1)N1CCCC1
InChIInChI=1S/C20H23Cl2N3O2/c21-16-6-5-14(10-17(16)22)12-24-7-3-4-15(13-24)18-11-19(27-23-18)20(26)25-8-1-2-9-25/h5-6,10-11,15H,1-4,7-9,12-13H2/t15-/m1/s1
InChIKeyNHPOBINKBGFEDW-OAHLLOKOSA-N
XLogP4.60
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-[(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
[3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
CID 92577412
[3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-5-yl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 92570029
(4-methylpiperidin-1-yl)-[3-[1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone
CID 110228887
(4-methylpiperidin-1-yl)-[3-[(3S)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone
CID 92584156
[3-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone
CID 92568102
[3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-5-yl]-[(3R)-3-hydroxypiperidin-1-yl]methanone
CID 92570030
1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 6456279

Frequently Asked Questions

What is the IUPAC name of [3-[(3R)-1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-[(3R)-1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone (CID 92568123) is [3-[(3R)-1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-[(3R)-1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-[(3R)-1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone is O=C(c1cc([C@@H]2CCCN(Cc3ccc(Cl)c(Cl)c3)C2)no1)N1CCCC1.
What is the InChIKey of [3-[(3R)-1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is NHPOBINKBGFEDW-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23Cl2N3O2/c21-16-6-5-14(10-17(16)22)12-24-7-3-4-15(13-24)18-11-19(27-23-18)20(26)25-8-1-2-9-25/h5-6,10-11,15H,1-4,7-9,12-13H2/t15-/m1/s1.
What are the key properties of [3-[(3R)-1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone?
[3-[(3R)-1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 408.33 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3R)-1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 92568123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).