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

C16H18F3N3O2 — CID 139469215

IUPACN-methyl-N-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanecarboxamide
SMILESCN(Cc1ccc(C2=NC(C(F)(F)F)ON2)cc1)C(=O)C1CCC1
InChIInChI=1S/C16H18F3N3O2/c1-22(14(23)12-3-2-4-12)9-10-5-7-11(8-6-10)13-20-15(24-21-13)16(17,18)19/h5-8,12,15H,2-4,9H2,1H3,(H,20,21)
InChIKeyAWGDUMWVBOVODV-UHFFFAOYSA-N
MW341.33 g/mol
LogP2.61
Rot. Bonds4

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

N-methyl-N-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanecarboxamide (PubChem CID 139469215) has the molecular formula C16H18F3N3O2 and a molecular weight of 341.33 g/mol. Its IUPAC name is N-methyl-N-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanecarboxamide
PubChem CID139469215
Molecular FormulaC16H18F3N3O2
Molecular Weight341.33 g/mol
Exact Mass341.14
IUPAC NameN-methyl-N-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanecarboxamide
SMILESCN(Cc1ccc(C2=NC(C(F)(F)F)ON2)cc1)C(=O)C1CCC1
InChIInChI=1S/C16H18F3N3O2/c1-22(14(23)12-3-2-4-12)9-10-5-7-11(8-6-10)13-20-15(24-21-13)16(17,18)19/h5-8,12,15H,2-4,9H2,1H3,(H,20,21)
InChIKeyAWGDUMWVBOVODV-UHFFFAOYSA-N
XLogP2.61
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 52.61
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-methyl-N-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropanecarboxamide
CID 139473687
N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 144507678
2-[[4-[5-(Trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-azabicyclo[2.2.1]heptan-3-one
CID 146602579
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
Piperidin-1-yl-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methanone
CID 169680398
N-methoxy-N-[[4-[5-(trifluoromethyl)-2H-1,2,4-oxadiazin-3-yl]phenyl]methyl]cyclopropanecarboxamide
CID 175352798
N-[[4-[5-(difluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxycyclopropanecarboxamide
CID 177197071
N-[[2-fluoro-4-(N'-hydroxycarbamimidoyl)phenyl]methyl]cyclobutanecarboxamide
CID 76995376

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]cyclobutanecarboxamide?
The IUPAC name of N-methyl-N-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanecarboxamide (CID 139469215) is N-methyl-N-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-methyl-N-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-methyl-N-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanecarboxamide is CN(Cc1ccc(C2=NC(C(F)(F)F)ON2)cc1)C(=O)C1CCC1.
What is the InChIKey of N-methyl-N-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanecarboxamide?
The InChIKey is AWGDUMWVBOVODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O2/c1-22(14(23)12-3-2-4-12)9-10-5-7-11(8-6-10)13-20-15(24-21-13)16(17,18)19/h5-8,12,15H,2-4,9H2,1H3,(H,20,21).
What are the key properties of N-methyl-N-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanecarboxamide?
N-methyl-N-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanecarboxamide has a molecular weight of 341.33 g/mol, XLogP of 2.61, 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]cyclobutanecarboxamide is sourced from PubChem (CID 139469215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).