N-methyl-N-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropanecarboxamide

C15H16F3N3O2 — CID 139473687

IUPACN-methyl-N-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropanecarboxamide
SMILESCN(Cc1ccc(C2=NC(C(F)(F)F)ON2)cc1)C(=O)C1CC1
InChIInChI=1S/C15H16F3N3O2/c1-21(13(22)11-6-7-11)8-9-2-4-10(5-3-9)12-19-14(23-20-12)15(16,17)18/h2-5,11,14H,6-8H2,1H3,(H,19,20)
InChIKeyZQPAOMZDDLPRKU-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.22
Rot. Bonds4

About N-methyl-N-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropanecarboxamide

N-methyl-N-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropanecarboxamide (PubChem CID 139473687) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is N-methyl-N-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropanecarboxamide
PubChem CID139473687
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC NameN-methyl-N-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropanecarboxamide
SMILESCN(Cc1ccc(C2=NC(C(F)(F)F)ON2)cc1)C(=O)C1CC1
InChIInChI=1S/C15H16F3N3O2/c1-21(13(22)11-6-7-11)8-9-2-4-10(5-3-9)12-19-14(23-20-12)15(16,17)18/h2-5,11,14H,6-8H2,1H3,(H,19,20)
InChIKeyZQPAOMZDDLPRKU-UHFFFAOYSA-N
XLogP2.22
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(E)-2-[[(methoxyamino)-[4-(trifluoromethyl)phenyl]methylidene]amino]ethenyl]piperidine-4-carboxamide
CID 123254230
N-[amino-[1-[3-methyl-1-[(2S)-3,3,3-trifluoro-2-methylpropanoyl]piperidin-4-yl]cyclopropyl]methylidene]-4-methylbenzenecarboximidamide
CID 131979011
1-Propan-2-yl-3-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea
CID 139468143
N-methyl-N-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanecarboxamide
CID 139469215
N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 144507678
1-propan-2-yl-3-[[4-[(5S)-5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea
CID 146291036
N-methyl-N-[[4-[5-methyl-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide
CID 153401296
N-methyl-N-[5-[4-[5-methyl-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]phenyl]pentyl]formamide
CID 156470695
4,4-Dimethyl-1-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-2,6-dione
CID 162346906
methanol;N-[[4-[N'-(2,2,2-trifluoroacetyl)carbamimidoyl]phenyl]methyl]cyclopropanecarboxamide
CID 164525025
N-[[4-[N'-(2,2,2-trifluoroacetyl)carbamimidoyl]phenyl]methyl]cyclopropanecarboxamide
CID 164525026
Piperidin-1-yl-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methanone
CID 169680398

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-methyl-N-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropanecarboxamide (CID 139473687) is N-methyl-N-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-methyl-N-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-methyl-N-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropanecarboxamide is CN(Cc1ccc(C2=NC(C(F)(F)F)ON2)cc1)C(=O)C1CC1.
What is the InChIKey of N-methyl-N-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropanecarboxamide?
The InChIKey is ZQPAOMZDDLPRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2/c1-21(13(22)11-6-7-11)8-9-2-4-10(5-3-9)12-19-14(23-20-12)15(16,17)18/h2-5,11,14H,6-8H2,1H3,(H,19,20).
What are the key properties of N-methyl-N-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropanecarboxamide?
N-methyl-N-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropanecarboxamide has a molecular weight of 327.31 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 139473687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).