(2S)-2-amino-3-(4-hydroxyphenyl)-1-[2-(5-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]propan-1-one

C23H25N3O3 — CID 58631261

IUPAC(2S)-2-amino-3-(4-hydroxyphenyl)-1-[2-(5-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]propan-1-one
SMILESN[C@@H](Cc1ccc(O)cc1)C(=O)N1CCCCC1c1ncc(-c2ccccc2)o1
InChIInChI=1S/C23H25N3O3/c24-19(14-16-9-11-18(27)12-10-16)23(28)26-13-5-4-8-20(26)22-25-15-21(29-22)17-6-2-1-3-7-17/h1-3,6-7,9-12,15,19-20,27H,4-5,8,13-14,24H2/t19-,20?/m0/s1
InChIKeyBIMWVFJCOQXXQD-XJDOXCRVSA-N
MW391.47 g/mol
LogP3.67
Rot. Bonds5

About (2S)-2-amino-3-(4-hydroxyphenyl)-1-[2-(5-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]propan-1-one

(2S)-2-amino-3-(4-hydroxyphenyl)-1-[2-(5-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 58631261) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-hydroxyphenyl)-1-[2-(5-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-hydroxyphenyl)-1-[2-(5-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]propan-1-one
PubChem CID58631261
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name(2S)-2-amino-3-(4-hydroxyphenyl)-1-[2-(5-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]propan-1-one
SMILESN[C@@H](Cc1ccc(O)cc1)C(=O)N1CCCCC1c1ncc(-c2ccccc2)o1
InChIInChI=1S/C23H25N3O3/c24-19(14-16-9-11-18(27)12-10-16)23(28)26-13-5-4-8-20(26)22-25-15-21(29-22)17-6-2-1-3-7-17/h1-3,6-7,9-12,15,19-20,27H,4-5,8,13-14,24H2/t19-,20?/m0/s1
InChIKeyBIMWVFJCOQXXQD-XJDOXCRVSA-N
XLogP3.67
TPSA92.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-3-(4-hydroxyphenyl)-1-[(2S)-2-(3-phenylphenyl)piperidin-1-yl]propan-1-one
CID 10476117
2-amino-3-(4-hydroxyphenyl)-1-(2-methylazepan-1-yl)propan-1-one
CID 77020980
(2S)-2-amino-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
CID 10481113
[4-[(2S)-2-amino-3-oxo-3-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]propyl]phenyl] 2,2-dimethylpropanoate
CID 11754666
1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 103868722
4-[(2S)-2-amino-3-oxo-3-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]propyl]-N-methylbenzamide
CID 10455455
(2S)-2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 61409766
2-amino-3-(4-propylphenyl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one
CID 177166738
benzyl (2S)-2-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
CID 59548510
(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2R)-1-[(2R)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide
CID 10391976
(2S)-1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide
CID 94480252
(2R)-2-amino-1-(2,5-dimethylpiperidin-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 104905282

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)-1-[2-(5-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)-1-[2-(5-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]propan-1-one (CID 58631261) is (2S)-2-amino-3-(4-hydroxyphenyl)-1-[2-(5-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-amino-3-(4-hydroxyphenyl)-1-[2-(5-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-amino-3-(4-hydroxyphenyl)-1-[2-(5-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]propan-1-one is N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCCCC1c1ncc(-c2ccccc2)o1.
What is the InChIKey of (2S)-2-amino-3-(4-hydroxyphenyl)-1-[2-(5-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is BIMWVFJCOQXXQD-XJDOXCRVSA-N. The full InChI is InChI=1S/C23H25N3O3/c24-19(14-16-9-11-18(27)12-10-16)23(28)26-13-5-4-8-20(26)22-25-15-21(29-22)17-6-2-1-3-7-17/h1-3,6-7,9-12,15,19-20,27H,4-5,8,13-14,24H2/t19-,20?/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-hydroxyphenyl)-1-[2-(5-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]propan-1-one?
(2S)-2-amino-3-(4-hydroxyphenyl)-1-[2-(5-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 391.47 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-hydroxyphenyl)-1-[2-(5-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 58631261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).