[(3R,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone

C19H24N2O4 — CID 155499872

IUPAC[(3R,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
SMILESCCC[C@]1(CO)CCN(C(=O)c2cc(-c3ccccc3)no2)C[C@@H]1O
InChIInChI=1S/C19H24N2O4/c1-2-8-19(13-22)9-10-21(12-17(19)23)18(24)16-11-15(20-25-16)14-6-4-3-5-7-14/h3-7,11,17,22-23H,2,8-10,12-13H2,1H3/t17-,19+/m0/s1
InChIKeyIMWPFOKMGPGDPE-PKOBYXMFSA-N
MW344.41 g/mol
LogP2.33
Rot. Bonds5

About [(3R,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone

[(3R,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone (PubChem CID 155499872) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is [(3R,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(3R,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
PubChem CID155499872
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name[(3R,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
SMILESCCC[C@]1(CO)CCN(C(=O)c2cc(-c3ccccc3)no2)C[C@@H]1O
InChIInChI=1S/C19H24N2O4/c1-2-8-19(13-22)9-10-21(12-17(19)23)18(24)16-11-15(20-25-16)14-6-4-3-5-7-14/h3-7,11,17,22-23H,2,8-10,12-13H2,1H3/t17-,19+/m0/s1
InChIKeyIMWPFOKMGPGDPE-PKOBYXMFSA-N
XLogP2.33
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(3R,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone with MolForge

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Related Compounds

[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 56749202
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 120804819
[(3S,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 164691604
[(3S,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 155915724
5-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one
CID 155912436
3-methyl-1-(3-phenyl-1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 119257353
[4-(hydroxymethyl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 60956875
1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid
CID 119167795
3-fluoro-1-(3-phenyl-1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 119259427
(3S,4S)-4-methyl-1-(3-phenyl-1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 120952058
1-[(3S,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 164699921
[4-(methylamino)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone;hydrochloride
CID 119563333

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [(3R,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone (CID 155499872) is [(3R,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [(3R,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [(3R,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone is CCC[C@]1(CO)CCN(C(=O)c2cc(-c3ccccc3)no2)C[C@@H]1O.
What is the InChIKey of [(3R,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone?
The InChIKey is IMWPFOKMGPGDPE-PKOBYXMFSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-2-8-19(13-22)9-10-21(12-17(19)23)18(24)16-11-15(20-25-16)14-6-4-3-5-7-14/h3-7,11,17,22-23H,2,8-10,12-13H2,1H3/t17-,19+/m0/s1.
What are the key properties of [(3R,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone?
[(3R,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone has a molecular weight of 344.41 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 155499872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).