(2S,3R)-3-amino-2-hydroxy-N-[(1R)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]-4-phenylbutanamide

C20H26F3N5O4 — CID 177107752

IUPAC(2S,3R)-3-amino-2-hydroxy-N-[(1R)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]-4-phenylbutanamide
SMILESN[C@H](Cc1ccccc1)[C@H](O)C(=O)N[C@H](CN1CCC(C(F)(F)F)CC1)c1n[nH]c(=O)o1
InChIInChI=1S/C20H26F3N5O4/c21-20(22,23)13-6-8-28(9-7-13)11-15(18-26-27-19(31)32-18)25-17(30)16(29)14(24)10-12-4-2-1-3-5-12/h1-5,13-16,29H,6-11,24H2,(H,25,30)(H,27,31)/t14-,15-,16+/m1/s1
InChIKeyUGRUGTKRUTVFCW-OAGGEKHMSA-N
MW457.45 g/mol
LogP0.73
Rot. Bonds8

About (2S,3R)-3-amino-2-hydroxy-N-[(1R)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]-4-phenylbutanamide

(2S,3R)-3-amino-2-hydroxy-N-[(1R)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]-4-phenylbutanamide (PubChem CID 177107752) has the molecular formula C20H26F3N5O4 and a molecular weight of 457.45 g/mol. Its IUPAC name is (2S,3R)-3-amino-2-hydroxy-N-[(1R)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]-4-phenylbutanamide.

Molecular Properties

Compound Name(2S,3R)-3-amino-2-hydroxy-N-[(1R)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]-4-phenylbutanamide
PubChem CID177107752
Molecular FormulaC20H26F3N5O4
Molecular Weight457.45 g/mol
Exact Mass457.19
IUPAC Name(2S,3R)-3-amino-2-hydroxy-N-[(1R)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]-4-phenylbutanamide
SMILESN[C@H](Cc1ccccc1)[C@H](O)C(=O)N[C@H](CN1CCC(C(F)(F)F)CC1)c1n[nH]c(=O)o1
InChIInChI=1S/C20H26F3N5O4/c21-20(22,23)13-6-8-28(9-7-13)11-15(18-26-27-19(31)32-18)25-17(30)16(29)14(24)10-12-4-2-1-3-5-12/h1-5,13-16,29H,6-11,24H2,(H,25,30)(H,27,31)/t14-,15-,16+/m1/s1
InChIKeyUGRUGTKRUTVFCW-OAGGEKHMSA-N
XLogP0.73
TPSA137.48 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.45
LogP ≤ 50.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (2S,3R)-3-amino-2-hydroxy-N-[(1R)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]-4-phenylbutanamide with MolForge

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Related Compounds

(2S,3R)-3-amino-2-hydroxy-N-[(1R)-2-(4-methylpiperidin-1-yl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)ethyl]-4-phenylbutanamide
CID 177107749
3-amino-2-hydroxy-N-[(2S)-1-oxo-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]-4-phenylbutanamide;methanol
CID 172569324
(2S,3R)-3-amino-2-hydroxy-N-[(R)-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-[3-(trifluoromethoxy)phenyl]methyl]-4-phenylbutanamide
CID 176511232
3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide
CID 66644721
3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide;dihydrochloride
CID 66644720
3-amino-N-cyclopentyl-2-hydroxy-4-phenylbutanamide
CID 23297928
(3S)-3-amino-2-hydroxy-4-phenyl-N-(2,2,2-trifluoroethyl)butanamide
CID 69029068
(3S)-3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-phenylbutanamide
CID 56998596
(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-2-[2,5-bis(trifluoromethyl)phenyl]acetic acid
CID 176511233
3-phenyl-2-sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 107031432
3-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-4-phenylbutan-2-ol
CID 22351223
(3S)-3-amino-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide;2,2,2-trifluoroacetic acid
CID 11849655

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-amino-2-hydroxy-N-[(1R)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]-4-phenylbutanamide?
The IUPAC name of (2S,3R)-3-amino-2-hydroxy-N-[(1R)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]-4-phenylbutanamide (CID 177107752) is (2S,3R)-3-amino-2-hydroxy-N-[(1R)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]-4-phenylbutanamide.
What is the SMILES notation for (2S,3R)-3-amino-2-hydroxy-N-[(1R)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]-4-phenylbutanamide?
The canonical SMILES for (2S,3R)-3-amino-2-hydroxy-N-[(1R)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]-4-phenylbutanamide is N[C@H](Cc1ccccc1)[C@H](O)C(=O)N[C@H](CN1CCC(C(F)(F)F)CC1)c1n[nH]c(=O)o1.
What is the InChIKey of (2S,3R)-3-amino-2-hydroxy-N-[(1R)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]-4-phenylbutanamide?
The InChIKey is UGRUGTKRUTVFCW-OAGGEKHMSA-N. The full InChI is InChI=1S/C20H26F3N5O4/c21-20(22,23)13-6-8-28(9-7-13)11-15(18-26-27-19(31)32-18)25-17(30)16(29)14(24)10-12-4-2-1-3-5-12/h1-5,13-16,29H,6-11,24H2,(H,25,30)(H,27,31)/t14-,15-,16+/m1/s1.
What are the key properties of (2S,3R)-3-amino-2-hydroxy-N-[(1R)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]-4-phenylbutanamide?
(2S,3R)-3-amino-2-hydroxy-N-[(1R)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]-4-phenylbutanamide has a molecular weight of 457.45 g/mol, XLogP of 0.73, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-amino-2-hydroxy-N-[(1R)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]-4-phenylbutanamide is sourced from PubChem (CID 177107752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).