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

C13H12F3N3O2S — CID 142423263

IUPAC2-methyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCc1ccc(-c2noc(C(F)(F)F)n2)s1
InChIInChI=1S/C13H12F3N3O2S/c1-6-4-8(6)11(20)17-5-7-2-3-9(22-7)10-18-12(21-19-10)13(14,15)16/h2-3,6,8H,4-5H2,1H3,(H,17,20)
InChIKeyDPPNBIOVTFDKGH-UHFFFAOYSA-N
MW331.32 g/mol
LogP3.09
Rot. Bonds4

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

2-methyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropane-1-carboxamide (PubChem CID 142423263) has the molecular formula C13H12F3N3O2S and a molecular weight of 331.32 g/mol. Its IUPAC name is 2-methyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropane-1-carboxamide
PubChem CID142423263
Molecular FormulaC13H12F3N3O2S
Molecular Weight331.32 g/mol
Exact Mass331.06
IUPAC Name2-methyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCc1ccc(-c2noc(C(F)(F)F)n2)s1
InChIInChI=1S/C13H12F3N3O2S/c1-6-4-8(6)11(20)17-5-7-2-3-9(22-7)10-18-12(21-19-10)13(14,15)16/h2-3,6,8H,4-5H2,1H3,(H,17,20)
InChIKeyDPPNBIOVTFDKGH-UHFFFAOYSA-N
XLogP3.09
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
methyl 5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxylate
CID 14871952
N-propan-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide
CID 142423345
N'-methyl-N'-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]oxamide
CID 146662686
3-[5-(bromomethyl)thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 135318835
N,2-dimethoxy-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide
CID 142423273
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'-propan-2-yl-N'-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]oxamide
CID 142423267
N-[2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 146525482
N-cyclopropyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]oxolane-2-carboxamide
CID 142423258
N-[[5-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide
CID 53126134
2-methyl-N-propan-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]butanamide
CID 142423333

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-methyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropane-1-carboxamide (CID 142423263) is 2-methyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-methyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-methyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropane-1-carboxamide is CC1CC1C(=O)NCc1ccc(-c2noc(C(F)(F)F)n2)s1.
What is the InChIKey of 2-methyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropane-1-carboxamide?
The InChIKey is DPPNBIOVTFDKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2S/c1-6-4-8(6)11(20)17-5-7-2-3-9(22-7)10-18-12(21-19-10)13(14,15)16/h2-3,6,8H,4-5H2,1H3,(H,17,20).
What are the key properties of 2-methyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropane-1-carboxamide?
2-methyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropane-1-carboxamide has a molecular weight of 331.32 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 142423263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).