3-phenyl-1-[(3R)-1-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]propan-1-one

C23H25N3O2 — CID 95714413

IUPAC3-phenyl-1-[(3R)-1-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]propan-1-one
SMILESO=C(CCc1ccccc1)[C@@H]1CCCN(Cc2cc(-c3ccccn3)no2)C1
InChIInChI=1S/C23H25N3O2/c27-23(12-11-18-7-2-1-3-8-18)19-9-6-14-26(16-19)17-20-15-22(25-28-20)21-10-4-5-13-24-21/h1-5,7-8,10,13,15,19H,6,9,11-12,14,16-17H2/t19-/m1/s1
InChIKeySVTSKMLUTREZBE-LJQANCHMSA-N
MW375.47 g/mol
LogP4.15
Rot. Bonds7

About 3-phenyl-1-[(3R)-1-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]propan-1-one

3-phenyl-1-[(3R)-1-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]propan-1-one (PubChem CID 95714413) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 3-phenyl-1-[(3R)-1-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]propan-1-one.

Molecular Properties

Compound Name3-phenyl-1-[(3R)-1-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]propan-1-one
PubChem CID95714413
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name3-phenyl-1-[(3R)-1-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]propan-1-one
SMILESO=C(CCc1ccccc1)[C@@H]1CCCN(Cc2cc(-c3ccccn3)no2)C1
InChIInChI=1S/C23H25N3O2/c27-23(12-11-18-7-2-1-3-8-18)19-9-6-14-26(16-19)17-20-15-22(25-28-20)21-10-4-5-13-24-21/h1-5,7-8,10,13,15,19H,6,9,11-12,14,16-17H2/t19-/m1/s1
InChIKeySVTSKMLUTREZBE-LJQANCHMSA-N
XLogP4.15
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-phenyl-1-[(3R)-1-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]propan-1-one with MolForge

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Related Compounds

1-[1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-3-phenylpropan-1-one
CID 56918400
N-methyl-3-[[(3S)-3-(3-phenylpropanoyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 95727068
1-[(3S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-3-phenylpropan-1-one
CID 95714959
1-[(3R)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-3-phenylpropan-1-one
CID 25448073
3-[2-[1-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]ethyl]phenol
CID 56914006
[1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 135119352
3-phenyl-1-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propan-1-one
CID 95713443
1-benzylpiperidine-3-carbonyl chloride
CID 22006205
2-(4-chlorophenyl)-4-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]morpholine
CID 56871877
1-[2-[methyl-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 72940275
3-[1-[(3-pyridin-2-ylphenyl)methyl]piperidin-3-yl]propanoic acid
CID 146137457
(4-benzylpiperazin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
CID 4551047

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[(3R)-1-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]propan-1-one?
The IUPAC name of 3-phenyl-1-[(3R)-1-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]propan-1-one (CID 95714413) is 3-phenyl-1-[(3R)-1-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]propan-1-one.
What is the SMILES notation for 3-phenyl-1-[(3R)-1-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]propan-1-one?
The canonical SMILES for 3-phenyl-1-[(3R)-1-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]propan-1-one is O=C(CCc1ccccc1)[C@@H]1CCCN(Cc2cc(-c3ccccn3)no2)C1.
What is the InChIKey of 3-phenyl-1-[(3R)-1-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]propan-1-one?
The InChIKey is SVTSKMLUTREZBE-LJQANCHMSA-N. The full InChI is InChI=1S/C23H25N3O2/c27-23(12-11-18-7-2-1-3-8-18)19-9-6-14-26(16-19)17-20-15-22(25-28-20)21-10-4-5-13-24-21/h1-5,7-8,10,13,15,19H,6,9,11-12,14,16-17H2/t19-/m1/s1.
What are the key properties of 3-phenyl-1-[(3R)-1-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]propan-1-one?
3-phenyl-1-[(3R)-1-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]propan-1-one has a molecular weight of 375.47 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-[(3R)-1-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]propan-1-one is sourced from PubChem (CID 95714413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).