N'-methyl-N'-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]oxamide

C11H9F3N4O3S — CID 146662686

IUPACN'-methyl-N'-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]oxamide
SMILESCN(Cc1ccc(-c2noc(C(F)(F)F)n2)s1)C(=O)C(N)=O
InChIInChI=1S/C11H9F3N4O3S/c1-18(9(20)7(15)19)4-5-2-3-6(22-5)8-16-10(21-17-8)11(12,13)14/h2-3H,4H2,1H3,(H2,15,19)
InChIKeyHEFDDUMMKABYMV-UHFFFAOYSA-N
MW334.28 g/mol
LogP1.26
Rot. Bonds3

About N'-methyl-N'-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]oxamide

N'-methyl-N'-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]oxamide (PubChem CID 146662686) has the molecular formula C11H9F3N4O3S and a molecular weight of 334.28 g/mol. Its IUPAC name is N'-methyl-N'-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-methyl-N'-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]oxamide
PubChem CID146662686
Molecular FormulaC11H9F3N4O3S
Molecular Weight334.28 g/mol
Exact Mass334.03
IUPAC NameN'-methyl-N'-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]oxamide
SMILESCN(Cc1ccc(-c2noc(C(F)(F)F)n2)s1)C(=O)C(N)=O
InChIInChI=1S/C11H9F3N4O3S/c1-18(9(20)7(15)19)4-5-2-3-6(22-5)8-16-10(21-17-8)11(12,13)14/h2-3H,4H2,1H3,(H2,15,19)
InChIKeyHEFDDUMMKABYMV-UHFFFAOYSA-N
XLogP1.26
TPSA102.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.28
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]acetamide
CID 142423214
N'-propan-2-yl-N'-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]oxamide
CID 142423267
1-ethyl-3-methyl-3-prop-2-enyl-1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]urea
CID 142423213
2-methyl-N-propan-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]butanamide
CID 142423333
N-propan-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide
CID 142423345
N,2-dimethoxy-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide
CID 142423273
N-methoxy-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]methanesulfonamide
CID 142423341
3-[5-(bromomethyl)thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 135318835
2-methoxy-N-methyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]ethanesulfonamide
CID 142423156
1-ethyl-3,3-bis(2-methoxyethyl)-1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]urea
CID 142423437
1-propan-2-yl-3-prop-2-ynyl-1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]urea
CID 142423165
N-ethyl-N-methyl-2-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazole-3-carboxamide
CID 155074976

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]oxamide?
The IUPAC name of N'-methyl-N'-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]oxamide (CID 146662686) is N'-methyl-N'-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]oxamide.
What is the SMILES notation for N'-methyl-N'-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]oxamide?
The canonical SMILES for N'-methyl-N'-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]oxamide is CN(Cc1ccc(-c2noc(C(F)(F)F)n2)s1)C(=O)C(N)=O.
What is the InChIKey of N'-methyl-N'-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]oxamide?
The InChIKey is HEFDDUMMKABYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O3S/c1-18(9(20)7(15)19)4-5-2-3-6(22-5)8-16-10(21-17-8)11(12,13)14/h2-3H,4H2,1H3,(H2,15,19).
What are the key properties of N'-methyl-N'-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]oxamide?
N'-methyl-N'-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]oxamide has a molecular weight of 334.28 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]oxamide is sourced from PubChem (CID 146662686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).