5-pyridin-3-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide

C17H13F3N4O2 — CID 166208942

IUPAC5-pyridin-3-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide
SMILESC[C@@H](NC(=O)c1noc(-c2cccnc2)n1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H13F3N4O2/c1-10(11-4-2-6-13(8-11)17(18,19)20)22-15(25)14-23-16(26-24-14)12-5-3-7-21-9-12/h2-10H,1H3,(H,22,25)/t10-/m1/s1
InChIKeyCDBYVRMSAMZHIA-SNVBAGLBSA-N
MW362.31 g/mol
LogP3.64
Rot. Bonds4

About 5-pyridin-3-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide

5-pyridin-3-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 166208942) has the molecular formula C17H13F3N4O2 and a molecular weight of 362.31 g/mol. Its IUPAC name is 5-pyridin-3-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-pyridin-3-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID166208942
Molecular FormulaC17H13F3N4O2
Molecular Weight362.31 g/mol
Exact Mass362.10
IUPAC Name5-pyridin-3-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide
SMILESC[C@@H](NC(=O)c1noc(-c2cccnc2)n1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H13F3N4O2/c1-10(11-4-2-6-13(8-11)17(18,19)20)22-15(25)14-23-16(26-24-14)12-5-3-7-21-9-12/h2-10H,1H3,(H,22,25)/t10-/m1/s1
InChIKeyCDBYVRMSAMZHIA-SNVBAGLBSA-N
XLogP3.64
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-pyridin-3-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-3-carboxamide
CID 166209272
N-[3-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 51939972
2-chloro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 78778446
5-thiophen-2-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-3-carboxamide
CID 95871145
6-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 42936491
7-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 18084276
5-chloro-2-fluoro-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 25444134
N-[1-[3-(trifluoromethyl)phenyl]ethyl]prop-2-enamide
CID 43699818
3-(pyrimidin-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 42948719
5-iodo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-3-carboxamide
CID 79691672
2-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 62788576
N-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)-3-(trifluoromethyl)benzamide
CID 46224438

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-pyridin-3-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide (CID 166208942) is 5-pyridin-3-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-pyridin-3-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-pyridin-3-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide is C[C@@H](NC(=O)c1noc(-c2cccnc2)n1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-pyridin-3-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is CDBYVRMSAMZHIA-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H13F3N4O2/c1-10(11-4-2-6-13(8-11)17(18,19)20)22-15(25)14-23-16(26-24-14)12-5-3-7-21-9-12/h2-10H,1H3,(H,22,25)/t10-/m1/s1.
What are the key properties of 5-pyridin-3-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide?
5-pyridin-3-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 362.31 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 166208942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).