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

C21H27N3O3 — CID 92599802

IUPAC[3-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1cccc(CN2CCC[C@@H](c3cc(C(=O)N4CCCC4)on3)C2)c1
InChIInChI=1S/C21H27N3O3/c1-26-18-8-4-6-16(12-18)14-23-9-5-7-17(15-23)19-13-20(27-22-19)21(25)24-10-2-3-11-24/h4,6,8,12-13,17H,2-3,5,7,9-11,14-15H2,1H3/t17-/m1/s1
InChIKeyKHWKIJGJWWXLNX-QGZVFWFLSA-N
MW369.47 g/mol
LogP3.30
Rot. Bonds5

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

[3-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 92599802) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is [3-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID92599802
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name[3-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1cccc(CN2CCC[C@@H](c3cc(C(=O)N4CCCC4)on3)C2)c1
InChIInChI=1S/C21H27N3O3/c1-26-18-8-4-6-16(12-18)14-23-9-5-7-17(15-23)19-13-20(27-22-19)21(25)24-10-2-3-11-24/h4,6,8,12-13,17H,2-3,5,7,9-11,14-15H2,1H3/t17-/m1/s1
InChIKeyKHWKIJGJWWXLNX-QGZVFWFLSA-N
XLogP3.30
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-propan-2-yl-1,2-oxazole-5-carboxamide
CID 95813060
[3-[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 92584153
3-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-phenyl-1,2-oxazole-5-carboxamide
CID 110252055
N-[(4-methoxyphenyl)methyl]-3-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92596071
N-(1-benzylpiperidin-4-yl)-3-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110089253
[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-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]-1,2-oxazole-5-carboxamide
CID 110229030
N-[(3-methoxyphenyl)methyl]-3-[1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110229025
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-(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-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone (CID 92599802) is [3-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone is COc1cccc(CN2CCC[C@@H](c3cc(C(=O)N4CCCC4)on3)C2)c1.
What is the InChIKey of [3-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is KHWKIJGJWWXLNX-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-26-18-8-4-6-16(12-18)14-23-9-5-7-17(15-23)19-13-20(27-22-19)21(25)24-10-2-3-11-24/h4,6,8,12-13,17H,2-3,5,7,9-11,14-15H2,1H3/t17-/m1/s1.
What are the key properties of [3-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone?
[3-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 369.47 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 92599802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).