4-[[(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole

C19H26N2O2 — CID 124793779

IUPAC4-[[(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCO[C@@H]1CCN(Cc2c(C)noc2C)C[C@H]1Cc1ccccc1
InChIInChI=1S/C19H26N2O2/c1-14-18(15(2)23-20-14)13-21-10-9-19(22-3)17(12-21)11-16-7-5-4-6-8-16/h4-8,17,19H,9-13H2,1-3H3/t17-,19-/m1/s1
InChIKeyXXXCGENUPPUXQP-IEBWSBKVSA-N
MW314.43 g/mol
LogP3.37
Rot. Bonds5

About 4-[[(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole

4-[[(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 124793779) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 4-[[(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[[(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
PubChem CID124793779
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name4-[[(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCO[C@@H]1CCN(Cc2c(C)noc2C)C[C@H]1Cc1ccccc1
InChIInChI=1S/C19H26N2O2/c1-14-18(15(2)23-20-14)13-21-10-9-19(22-3)17(12-21)11-16-7-5-4-6-8-16/h4-8,17,19H,9-13H2,1-3H3/t17-,19-/m1/s1
InChIKeyXXXCGENUPPUXQP-IEBWSBKVSA-N
XLogP3.37
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(3R,4S)-3-benzyl-4-methoxypiperidin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 124797918
4-[[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 124789164
(3S,4S)-3-benzyl-4-methoxy-1-(oxan-4-ylmethyl)piperidine
CID 97422723
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-ethylpiperidin-4-ol
CID 114511165
3-[[(3S,4R)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]methyl]-5-methyl-1,2-oxazole;2,2,2-trifluoroacetic acid
CID 155835426
4-[[(2S,3S)-2-benzyl-3-(2-methoxyethoxy)pyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole;2,2,2-trifluoroacetic acid
CID 155848482
3-[[(3S,4S)-3-benzyl-4-(cyclopropylmethoxy)piperidin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 97475241
4-[(1-benzyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)methyl]-3,5-dimethyl-1,2-oxazole
CID 75461514
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-phenylacetamide
CID 75461556
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylmorpholine
CID 51076931
4-[[(4S,4aS,7aS)-4-methoxy-6-(pyridin-3-ylmethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 97421686
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol
CID 56828639

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[[(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole (CID 124793779) is 4-[[(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[[(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[[(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole is CO[C@@H]1CCN(Cc2c(C)noc2C)C[C@H]1Cc1ccccc1.
What is the InChIKey of 4-[[(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is XXXCGENUPPUXQP-IEBWSBKVSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-14-18(15(2)23-20-14)13-21-10-9-19(22-3)17(12-21)11-16-7-5-4-6-8-16/h4-8,17,19H,9-13H2,1-3H3/t17-,19-/m1/s1.
What are the key properties of 4-[[(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
4-[[(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 314.43 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 124793779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).