[(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone

C19H25N3O3 — CID 72864460

IUPAC[(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone
SMILESCN(C)C[C@H]1C[C@H](CO)CN(C(=O)c2ccc(-c3cnco3)cc2)C1
InChIInChI=1S/C19H25N3O3/c1-21(2)9-14-7-15(12-23)11-22(10-14)19(24)17-5-3-16(4-6-17)18-8-20-13-25-18/h3-6,8,13-15,23H,7,9-12H2,1-2H3/t14-,15+/m1/s1
InChIKeyZFPDRUWKRVQKQI-CABCVRRESA-N
MW343.43 g/mol
LogP1.97
Rot. Bonds5

About [(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone

[(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone (PubChem CID 72864460) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is [(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name[(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone
PubChem CID72864460
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name[(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone
SMILESCN(C)C[C@H]1C[C@H](CO)CN(C(=O)c2ccc(-c3cnco3)cc2)C1
InChIInChI=1S/C19H25N3O3/c1-21(2)9-14-7-15(12-23)11-22(10-14)19(24)17-5-3-16(4-6-17)18-8-20-13-25-18/h3-6,8,13-15,23H,7,9-12H2,1-2H3/t14-,15+/m1/s1
InChIKeyZFPDRUWKRVQKQI-CABCVRRESA-N
XLogP1.97
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone with MolForge

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Related Compounds

(3S,4S)-4-methyl-1-[4-(1,3-oxazol-5-yl)benzoyl]pyrrolidine-3-carboxylic acid
CID 120952551
1-[4-[(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 72913392
N,N-dimethyl-1-[4-(1,3-oxazol-5-yl)benzoyl]piperidine-3-carboxamide
CID 47085209
[4-[(2R)-1-hydroxybutan-2-yl]piperazin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone
CID 97237412
[(4aS,6R,7aS)-6-(hydroxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone
CID 172896495
[(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 72895677
[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone
CID 128978740
N-cyclopropyl-N-methyl-4-(1,3-oxazol-5-yl)benzamide
CID 47413926
(2-ethyl-2,5-dihydropyrrol-1-yl)-[4-(1,3-oxazol-5-yl)phenyl]methanone
CID 131902419
[(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone
CID 72871834
3-methyl-1-[4-(1,3-oxazol-5-yl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119257328
[4-(1,3-oxazol-5-yl)phenyl]-(2-phenyl-1,4-oxazepan-4-yl)methanone
CID 138998156

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone?
The IUPAC name of [(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone (CID 72864460) is [(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone.
What is the SMILES notation for [(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone?
The canonical SMILES for [(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone is CN(C)C[C@H]1C[C@H](CO)CN(C(=O)c2ccc(-c3cnco3)cc2)C1.
What is the InChIKey of [(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone?
The InChIKey is ZFPDRUWKRVQKQI-CABCVRRESA-N. The full InChI is InChI=1S/C19H25N3O3/c1-21(2)9-14-7-15(12-23)11-22(10-14)19(24)17-5-3-16(4-6-17)18-8-20-13-25-18/h3-6,8,13-15,23H,7,9-12H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of [(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone?
[(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone has a molecular weight of 343.43 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone is sourced from PubChem (CID 72864460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).