[(2R,5R)-5-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methylpiperidin-1-yl]-(2-phenylphenyl)methanone

C25H28N2O3 — CID 121344728

IUPAC[(2R,5R)-5-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methylpiperidin-1-yl]-(2-phenylphenyl)methanone
SMILESC[C@@H]1CC[C@@H](c2cc(C(C)(C)O)no2)CN1C(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C25H28N2O3/c1-17-13-14-19(22-15-23(26-30-22)25(2,3)29)16-27(17)24(28)21-12-8-7-11-20(21)18-9-5-4-6-10-18/h4-12,15,17,19,29H,13-14,16H2,1-3H3/t17-,19-/m1/s1
InChIKeyVHOGBPHESIEQLR-IEBWSBKVSA-N
MW404.51 g/mol
LogP4.98
Rot. Bonds4

About [(2R,5R)-5-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methylpiperidin-1-yl]-(2-phenylphenyl)methanone

[(2R,5R)-5-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methylpiperidin-1-yl]-(2-phenylphenyl)methanone (PubChem CID 121344728) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is [(2R,5R)-5-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methylpiperidin-1-yl]-(2-phenylphenyl)methanone.

Molecular Properties

Compound Name[(2R,5R)-5-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methylpiperidin-1-yl]-(2-phenylphenyl)methanone
PubChem CID121344728
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name[(2R,5R)-5-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methylpiperidin-1-yl]-(2-phenylphenyl)methanone
SMILESC[C@@H]1CC[C@@H](c2cc(C(C)(C)O)no2)CN1C(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C25H28N2O3/c1-17-13-14-19(22-15-23(26-30-22)25(2,3)29)16-27(17)24(28)21-12-8-7-11-20(21)18-9-5-4-6-10-18/h4-12,15,17,19,29H,13-14,16H2,1-3H3/t17-,19-/m1/s1
InChIKeyVHOGBPHESIEQLR-IEBWSBKVSA-N
XLogP4.98
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Perisoxal
CID 71109
1-[(1S,2R,4R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[4-(3-methylisoxazol-5-yl)phenyl]ethane-1,2-dione
CID 24996344
N-benzyl-2-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 1257994
N-[2-[2-[3-[(3R,4R)-4-(3,4-difluorophenyl)-4-hydroxypiperidin-3-yl]-1,2-oxazol-5-yl]phenyl]ethyl]acetamide
CID 46932141
3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone
CID 1093796
1-(2-{[(2R,5R)-2-Methyl-5-{3-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]isoxazol-5-yl}piperidin-1-yl]carbonyl} phenyl)cyclopropanecarbonitrile
CID 121305881
1-(2-{[(2R,5R)-2-Methyl-5-{3-[(1R)-2,2,2-Trifluoro-1-hydroxyethyl]isoxazol-5-yl}piperidin-1-yl]carbonyl}phenyl) cyclopropanecarbonitrile
CID 121305890
2-{5-[(3R,6R)-1-{[2-(2,2-Difluorocyclopropyl)phenyl] carbonyl}-6-methylpiperidin-3-yl]isoxazol-3-yl}propan-2-ol
CID 121344696
2-{5-[(3R,6R)-1-{[2-(2,2-Difluoroethoxy)phenyl]carbonyl}-6-methylpiperidin-3-yl]isoxazol-3-yl}propan-2-ol
CID 121344716
1-Piperidineethanol, 4-hydroxy-alpha-(5-phenyl-3-isoxazolyl)-
CID 3043482
1-Piperidineethanol, 3-hydroxy-alpha-(5-phenyl-3-isoxazolyl)-
CID 3043483
3-[3-(3,4-dihydro-2(1H)-isoquinolinylcarbonyl)-5-isoxazolyl]phenol
CID 5308837

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-5-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methylpiperidin-1-yl]-(2-phenylphenyl)methanone?
The IUPAC name of [(2R,5R)-5-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methylpiperidin-1-yl]-(2-phenylphenyl)methanone (CID 121344728) is [(2R,5R)-5-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methylpiperidin-1-yl]-(2-phenylphenyl)methanone.
What is the SMILES notation for [(2R,5R)-5-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methylpiperidin-1-yl]-(2-phenylphenyl)methanone?
The canonical SMILES for [(2R,5R)-5-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methylpiperidin-1-yl]-(2-phenylphenyl)methanone is C[C@@H]1CC[C@@H](c2cc(C(C)(C)O)no2)CN1C(=O)c1ccccc1-c1ccccc1.
What is the InChIKey of [(2R,5R)-5-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methylpiperidin-1-yl]-(2-phenylphenyl)methanone?
The InChIKey is VHOGBPHESIEQLR-IEBWSBKVSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-17-13-14-19(22-15-23(26-30-22)25(2,3)29)16-27(17)24(28)21-12-8-7-11-20(21)18-9-5-4-6-10-18/h4-12,15,17,19,29H,13-14,16H2,1-3H3/t17-,19-/m1/s1.
What are the key properties of [(2R,5R)-5-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methylpiperidin-1-yl]-(2-phenylphenyl)methanone?
[(2R,5R)-5-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methylpiperidin-1-yl]-(2-phenylphenyl)methanone has a molecular weight of 404.51 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-5-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-2-methylpiperidin-1-yl]-(2-phenylphenyl)methanone is sourced from PubChem (CID 121344728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).