N-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)benzamide

C17H13F3N4O2 — CID 171682383

IUPACN-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)benzamide
SMILESCc1cccc(-c2noc(CNC(=O)c3cccc(C(F)(F)F)c3)n2)n1
InChIInChI=1S/C17H13F3N4O2/c1-10-4-2-7-13(22-10)15-23-14(26-24-15)9-21-16(25)11-5-3-6-12(8-11)17(18,19)20/h2-8H,9H2,1H3,(H,21,25)
InChIKeyUNTUPYFERZHABK-UHFFFAOYSA-N
MW362.31 g/mol
LogP3.39
Rot. Bonds4

About N-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)benzamide

N-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)benzamide (PubChem CID 171682383) has the molecular formula C17H13F3N4O2 and a molecular weight of 362.31 g/mol. Its IUPAC name is N-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)benzamide
PubChem CID171682383
Molecular FormulaC17H13F3N4O2
Molecular Weight362.31 g/mol
Exact Mass362.10
IUPAC NameN-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)benzamide
SMILESCc1cccc(-c2noc(CNC(=O)c3cccc(C(F)(F)F)c3)n2)n1
InChIInChI=1S/C17H13F3N4O2/c1-10-4-2-7-13(22-10)15-23-14(26-24-15)9-21-16(25)11-5-3-6-12(8-11)17(18,19)20/h2-8H,9H2,1H3,(H,21,25)
InChIKeyUNTUPYFERZHABK-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide
CID 83278485
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
3-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 6459787
N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64997394
N,2-dimethyl-3-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide
CID 87029316
N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 4149542
3-iodo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 61400580
N-[2-(6-methyl-2-pyridinyl)-3-phenyl-2-[3-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)benzamide
CID 149093732
N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 2713294
N-[[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethoxy)benzamide
CID 91632300
N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-3-(trifluoromethyl)benzamide
CID 3240597
N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-4-carboxamide
CID 91819231

Frequently Asked Questions

What is the IUPAC name of N-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)benzamide (CID 171682383) is N-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)benzamide is Cc1cccc(-c2noc(CNC(=O)c3cccc(C(F)(F)F)c3)n2)n1.
What is the InChIKey of N-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)benzamide?
The InChIKey is UNTUPYFERZHABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O2/c1-10-4-2-7-13(22-10)15-23-14(26-24-15)9-21-16(25)11-5-3-6-12(8-11)17(18,19)20/h2-8H,9H2,1H3,(H,21,25).
What are the key properties of N-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)benzamide?
N-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)benzamide has a molecular weight of 362.31 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 171682383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).