N-methoxy-N-[[4-[5-(trifluoromethyl)-2H-1,2,4-oxadiazin-3-yl]phenyl]methyl]cyclopropanecarboxamide

C16H16F3N3O3 — CID 175352798

IUPACN-methoxy-N-[[4-[5-(trifluoromethyl)-2H-1,2,4-oxadiazin-3-yl]phenyl]methyl]cyclopropanecarboxamide
SMILESCON(Cc1ccc(C2=NC(C(F)(F)F)=CON2)cc1)C(=O)C1CC1
InChIInChI=1S/C16H16F3N3O3/c1-24-22(15(23)12-6-7-12)8-10-2-4-11(5-3-10)14-20-13(9-25-21-14)16(17,18)19/h2-5,9,12H,6-8H2,1H3,(H,20,21)
InChIKeyLVDDMQKIDMSZIC-UHFFFAOYSA-N
MW355.32 g/mol
LogP2.67
Rot. Bonds5

About N-methoxy-N-[[4-[5-(trifluoromethyl)-2H-1,2,4-oxadiazin-3-yl]phenyl]methyl]cyclopropanecarboxamide

N-methoxy-N-[[4-[5-(trifluoromethyl)-2H-1,2,4-oxadiazin-3-yl]phenyl]methyl]cyclopropanecarboxamide (PubChem CID 175352798) has the molecular formula C16H16F3N3O3 and a molecular weight of 355.32 g/mol. Its IUPAC name is N-methoxy-N-[[4-[5-(trifluoromethyl)-2H-1,2,4-oxadiazin-3-yl]phenyl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-methoxy-N-[[4-[5-(trifluoromethyl)-2H-1,2,4-oxadiazin-3-yl]phenyl]methyl]cyclopropanecarboxamide
PubChem CID175352798
Molecular FormulaC16H16F3N3O3
Molecular Weight355.32 g/mol
Exact Mass355.11
IUPAC NameN-methoxy-N-[[4-[5-(trifluoromethyl)-2H-1,2,4-oxadiazin-3-yl]phenyl]methyl]cyclopropanecarboxamide
SMILESCON(Cc1ccc(C2=NC(C(F)(F)F)=CON2)cc1)C(=O)C1CC1
InChIInChI=1S/C16H16F3N3O3/c1-24-22(15(23)12-6-7-12)8-10-2-4-11(5-3-10)14-20-13(9-25-21-14)16(17,18)19/h2-5,9,12H,6-8H2,1H3,(H,20,21)
InChIKeyLVDDMQKIDMSZIC-UHFFFAOYSA-N
XLogP2.67
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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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]cyclobutanecarboxamide
CID 139469215
N-methyl-N-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropanecarboxamide
CID 139473687
N-methyl-N-[[4-[5-methyl-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide
CID 153401296
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
N-methoxy-N-[[4-[5-[2-(trifluoromethyl)phenyl]-2H-1,2,4-oxadiazin-3-yl]phenyl]methyl]cyclopropanecarboxamide
CID 175352814
1-methoxy-3-methyl-1-[[4-[5-(trifluoromethyl)-2H-1,2,4-oxadiazin-3-yl]phenyl]methyl]urea
CID 175832952
3-ethyl-1-methoxy-1-[[4-[5-(trifluoromethyl)-2H-1,2,4-oxadiazin-3-yl]phenyl]methyl]urea
CID 175832969
N-[[4-[5-(difluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxycyclopropanecarboxamide
CID 177197071
N-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]-N-methoxycyclopropanecarboxamide
CID 142438618

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-[[4-[5-(trifluoromethyl)-2H-1,2,4-oxadiazin-3-yl]phenyl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-methoxy-N-[[4-[5-(trifluoromethyl)-2H-1,2,4-oxadiazin-3-yl]phenyl]methyl]cyclopropanecarboxamide (CID 175352798) is N-methoxy-N-[[4-[5-(trifluoromethyl)-2H-1,2,4-oxadiazin-3-yl]phenyl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-methoxy-N-[[4-[5-(trifluoromethyl)-2H-1,2,4-oxadiazin-3-yl]phenyl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-methoxy-N-[[4-[5-(trifluoromethyl)-2H-1,2,4-oxadiazin-3-yl]phenyl]methyl]cyclopropanecarboxamide is CON(Cc1ccc(C2=NC(C(F)(F)F)=CON2)cc1)C(=O)C1CC1.
What is the InChIKey of N-methoxy-N-[[4-[5-(trifluoromethyl)-2H-1,2,4-oxadiazin-3-yl]phenyl]methyl]cyclopropanecarboxamide?
The InChIKey is LVDDMQKIDMSZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3/c1-24-22(15(23)12-6-7-12)8-10-2-4-11(5-3-10)14-20-13(9-25-21-14)16(17,18)19/h2-5,9,12H,6-8H2,1H3,(H,20,21).
What are the key properties of N-methoxy-N-[[4-[5-(trifluoromethyl)-2H-1,2,4-oxadiazin-3-yl]phenyl]methyl]cyclopropanecarboxamide?
N-methoxy-N-[[4-[5-(trifluoromethyl)-2H-1,2,4-oxadiazin-3-yl]phenyl]methyl]cyclopropanecarboxamide has a molecular weight of 355.32 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-[[4-[5-(trifluoromethyl)-2H-1,2,4-oxadiazin-3-yl]phenyl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 175352798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).