5-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide

C18H20F3N3O3 — CID 42195960

IUPAC5-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)c1cc(CN2CCC[C@H](O)C2)on1
InChIInChI=1S/C18H20F3N3O3/c19-18(20,21)15-6-2-1-4-12(15)9-22-17(26)16-8-14(27-23-16)11-24-7-3-5-13(25)10-24/h1-2,4,6,8,13,25H,3,5,7,9-11H2,(H,22,26)/t13-/m0/s1
InChIKeyDWSKDXNMRGGBPH-ZDUSSCGKSA-N
MW383.37 g/mol
LogP2.58
Rot. Bonds5

About 5-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide

5-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 42195960) has the molecular formula C18H20F3N3O3 and a molecular weight of 383.37 g/mol. Its IUPAC name is 5-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID42195960
Molecular FormulaC18H20F3N3O3
Molecular Weight383.37 g/mol
Exact Mass383.15
IUPAC Name5-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)c1cc(CN2CCC[C@H](O)C2)on1
InChIInChI=1S/C18H20F3N3O3/c19-18(20,21)15-6-2-1-4-12(15)9-22-17(26)16-8-14(27-23-16)11-24-7-3-5-13(25)10-24/h1-2,4,6,8,13,25H,3,5,7,9-11H2,(H,22,26)/t13-/m0/s1
InChIKeyDWSKDXNMRGGBPH-ZDUSSCGKSA-N
XLogP2.58
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 95208120
5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 86166953
N-[(2-chloro-3-pyridinyl)methyl]-5-[(3-hydroxypiperidin-1-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 56743043
5-[(2,4-difluorophenoxy)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 25308523
N-ethyl-5-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 95221283
1-[(3-amino-1,2-oxazol-5-yl)methyl]piperidin-3-ol
CID 82398962
5-[(4-hydroxypiperidin-1-yl)methyl]-N-(quinolin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 56721841
5-[(4-fluorophenoxy)methyl]-N-[2-(3-hydroxypiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 167925570
1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride
CID 119909959
1-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-ol
CID 63091103
N-methyl-5-[[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]furan-2-carboxamide
CID 95708474
N-[(5-chloro-1H-indol-2-yl)methyl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 56711559

Frequently Asked Questions

What is the IUPAC name of 5-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide (CID 42195960) is 5-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide is O=C(NCc1ccccc1C(F)(F)F)c1cc(CN2CCC[C@H](O)C2)on1.
What is the InChIKey of 5-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is DWSKDXNMRGGBPH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20F3N3O3/c19-18(20,21)15-6-2-1-4-12(15)9-22-17(26)16-8-14(27-23-16)11-24-7-3-5-13(25)10-24/h1-2,4,6,8,13,25H,3,5,7,9-11H2,(H,22,26)/t13-/m0/s1.
What are the key properties of 5-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide?
5-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 383.37 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 42195960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).