2-[(2-fluorophenyl)methyl-methylamino]-1-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone

C26H30FN3O3 — CID 129458192

IUPAC2-[(2-fluorophenyl)methyl-methylamino]-1-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
SMILESCOc1ccccc1Cc1cnc([C@H]2CCCCN2C(=O)CN(C)Cc2ccccc2F)o1
InChIInChI=1S/C26H30FN3O3/c1-29(17-20-10-3-5-11-22(20)27)18-25(31)30-14-8-7-12-23(30)26-28-16-21(33-26)15-19-9-4-6-13-24(19)32-2/h3-6,9-11,13,16,23H,7-8,12,14-15,17-18H2,1-2H3/t23-/m1/s1
InChIKeySHIFCKWRWYBSKS-HSZRJFAPSA-N
MW451.54 g/mol
LogP4.60
Rot. Bonds8

About 2-[(2-fluorophenyl)methyl-methylamino]-1-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone

2-[(2-fluorophenyl)methyl-methylamino]-1-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 129458192) has the molecular formula C26H30FN3O3 and a molecular weight of 451.54 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl-methylamino]-1-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl-methylamino]-1-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
PubChem CID129458192
Molecular FormulaC26H30FN3O3
Molecular Weight451.54 g/mol
Exact Mass451.23
IUPAC Name2-[(2-fluorophenyl)methyl-methylamino]-1-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
SMILESCOc1ccccc1Cc1cnc([C@H]2CCCCN2C(=O)CN(C)Cc2ccccc2F)o1
InChIInChI=1S/C26H30FN3O3/c1-29(17-20-10-3-5-11-22(20)27)18-25(31)30-14-8-7-12-23(30)26-28-16-21(33-26)15-19-9-4-6-13-24(19)32-2/h3-6,9-11,13,16,23H,7-8,12,14-15,17-18H2,1-2H3/t23-/m1/s1
InChIKeySHIFCKWRWYBSKS-HSZRJFAPSA-N
XLogP4.60
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.54
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-fluorophenyl)methyl-methylamino]-1-[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 155983761
2-(2-fluorophenoxy)-1-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 129457982
1-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-phenoxyethanone
CID 129454193
1-[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 110121378
1-[2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one
CID 110131538
1-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 125010412
1-[2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 155983766
2-(2-ethylimidazol-1-yl)-1-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 124953921
cyclohexyl-[(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 125019117
[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 129453418
1-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 124969633
[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone
CID 125009713

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl-methylamino]-1-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-[(2-fluorophenyl)methyl-methylamino]-1-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone (CID 129458192) is 2-[(2-fluorophenyl)methyl-methylamino]-1-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl-methylamino]-1-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-[(2-fluorophenyl)methyl-methylamino]-1-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone is COc1ccccc1Cc1cnc([C@H]2CCCCN2C(=O)CN(C)Cc2ccccc2F)o1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl-methylamino]-1-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?
The InChIKey is SHIFCKWRWYBSKS-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H30FN3O3/c1-29(17-20-10-3-5-11-22(20)27)18-25(31)30-14-8-7-12-23(30)26-28-16-21(33-26)15-19-9-4-6-13-24(19)32-2/h3-6,9-11,13,16,23H,7-8,12,14-15,17-18H2,1-2H3/t23-/m1/s1.
What are the key properties of 2-[(2-fluorophenyl)methyl-methylamino]-1-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?
2-[(2-fluorophenyl)methyl-methylamino]-1-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 451.54 g/mol, XLogP of 4.60, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl-methylamino]-1-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 129458192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).