[(5R)-3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(2S)-2-(1-methylimidazol-2-yl)piperidin-1-yl]methanone

C21H26N4O3 — CID 125170050

IUPAC[(5R)-3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(2S)-2-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(CC2=NO[C@@H](C(=O)N3CCCC[C@H]3c3nccn3C)C2)cc1
InChIInChI=1S/C21H26N4O3/c1-24-12-10-22-20(24)18-5-3-4-11-25(18)21(26)19-14-16(23-28-19)13-15-6-8-17(27-2)9-7-15/h6-10,12,18-19H,3-5,11,13-14H2,1-2H3/t18-,19+/m0/s1
InChIKeyZQMUPXKRTVVRBE-RBUKOAKNSA-N
MW382.46 g/mol
LogP2.87
Rot. Bonds5

About [(5R)-3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(2S)-2-(1-methylimidazol-2-yl)piperidin-1-yl]methanone

[(5R)-3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(2S)-2-(1-methylimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 125170050) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is [(5R)-3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(2S)-2-(1-methylimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(5R)-3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(2S)-2-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
PubChem CID125170050
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name[(5R)-3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(2S)-2-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(CC2=NO[C@@H](C(=O)N3CCCC[C@H]3c3nccn3C)C2)cc1
InChIInChI=1S/C21H26N4O3/c1-24-12-10-22-20(24)18-5-3-4-11-25(18)21(26)19-14-16(23-28-19)13-15-6-8-17(27-2)9-7-15/h6-10,12,18-19H,3-5,11,13-14H2,1-2H3/t18-,19+/m0/s1
InChIKeyZQMUPXKRTVVRBE-RBUKOAKNSA-N
XLogP2.87
TPSA68.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(5R)-3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(2S)-2-(1-methylimidazol-2-yl)piperidin-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

[(1S,5R)-6-azabicyclo[3.2.1]octan-6-yl]-[(5S)-3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 42380783
2-(4-methoxyphenyl)-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 96573896
3-(5-chlorothiophen-2-yl)-1-[(2R)-2-(1-methylimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 97254776
1-[(2R)-2-(1-methylimidazol-2-yl)piperidin-1-yl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-one
CID 42197638
2-(4-methoxyphenyl)-1-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95838301
[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-[(5R)-3-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 25327682
1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 124961639
[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120879142
[3-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 118758750
N-[(4-methoxyphenyl)methyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120871315
1-(4-methoxyphenyl)-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]butane-1,4-dione
CID 120877364
(5R)-5-[3-[(2R)-2-(1-methylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-5-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 42479662

Frequently Asked Questions

What is the IUPAC name of [(5R)-3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(2S)-2-(1-methylimidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [(5R)-3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(2S)-2-(1-methylimidazol-2-yl)piperidin-1-yl]methanone (CID 125170050) is [(5R)-3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(2S)-2-(1-methylimidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [(5R)-3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(2S)-2-(1-methylimidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [(5R)-3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(2S)-2-(1-methylimidazol-2-yl)piperidin-1-yl]methanone is COc1ccc(CC2=NO[C@@H](C(=O)N3CCCC[C@H]3c3nccn3C)C2)cc1.
What is the InChIKey of [(5R)-3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(2S)-2-(1-methylimidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is ZQMUPXKRTVVRBE-RBUKOAKNSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-24-12-10-22-20(24)18-5-3-4-11-25(18)21(26)19-14-16(23-28-19)13-15-6-8-17(27-2)9-7-15/h6-10,12,18-19H,3-5,11,13-14H2,1-2H3/t18-,19+/m0/s1.
What are the key properties of [(5R)-3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(2S)-2-(1-methylimidazol-2-yl)piperidin-1-yl]methanone?
[(5R)-3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(2S)-2-(1-methylimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 382.46 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(2S)-2-(1-methylimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 125170050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).