N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide

C13H12F3N3O2 — CID 52800488

IUPACN-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide
SMILESCc1noc([C@@H](C)NC(=O)c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H12F3N3O2/c1-7(12-18-8(2)19-21-12)17-11(20)9-4-3-5-10(6-9)13(14,15)16/h3-7H,1-2H3,(H,17,20)/t7-/m1/s1
InChIKeyDKPUAEHXUXPUML-SSDOTTSWSA-N
MW299.25 g/mol
LogP2.89
Rot. Bonds3

About N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide

N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide (PubChem CID 52800488) has the molecular formula C13H12F3N3O2 and a molecular weight of 299.25 g/mol. Its IUPAC name is N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide
PubChem CID52800488
Molecular FormulaC13H12F3N3O2
Molecular Weight299.25 g/mol
Exact Mass299.09
IUPAC NameN-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide
SMILESCc1noc([C@@H](C)NC(=O)c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H12F3N3O2/c1-7(12-18-8(2)19-21-12)17-11(20)9-4-3-5-10(6-9)13(14,15)16/h3-7H,1-2H3,(H,17,20)/t7-/m1/s1
InChIKeyDKPUAEHXUXPUML-SSDOTTSWSA-N
XLogP2.89
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 166203944
N-methyl-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide
CID 47155570
N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 83288684
N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 94815501
N-(diformamidomethyl)-3-(trifluoromethyl)benzamide
CID 11087484
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 78875284
N-but-3-yn-2-yl-3-(trifluoromethyl)benzamide
CID 114389842
3-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 17101235
N-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide
CID 91635714
N-(4-bromobutan-2-yl)-3-(trifluoromethyl)benzamide
CID 83180357
3,4,5-trimethoxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 94809095
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 28560234

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide (CID 52800488) is N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide is Cc1noc([C@@H](C)NC(=O)c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is DKPUAEHXUXPUML-SSDOTTSWSA-N. The full InChI is InChI=1S/C13H12F3N3O2/c1-7(12-18-8(2)19-21-12)17-11(20)9-4-3-5-10(6-9)13(14,15)16/h3-7H,1-2H3,(H,17,20)/t7-/m1/s1.
What are the key properties of N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide?
N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 299.25 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 52800488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).