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

C15H16F3N3O2S — CID 142423345

IUPACN-propan-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide
SMILESCC(C)N(Cc1ccc(-c2noc(C(F)(F)F)n2)s1)C(=O)C1CC1
InChIInChI=1S/C15H16F3N3O2S/c1-8(2)21(13(22)9-3-4-9)7-10-5-6-11(24-10)12-19-14(23-20-12)15(16,17)18/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyPVGGCOATYMAMEI-UHFFFAOYSA-N
MW359.37 g/mol
LogP3.96
Rot. Bonds5

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

N-propan-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide (PubChem CID 142423345) has the molecular formula C15H16F3N3O2S and a molecular weight of 359.37 g/mol. Its IUPAC name is N-propan-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-propan-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide
PubChem CID142423345
Molecular FormulaC15H16F3N3O2S
Molecular Weight359.37 g/mol
Exact Mass359.09
IUPAC NameN-propan-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide
SMILESCC(C)N(Cc1ccc(-c2noc(C(F)(F)F)n2)s1)C(=O)C1CC1
InChIInChI=1S/C15H16F3N3O2S/c1-8(2)21(13(22)9-3-4-9)7-10-5-6-11(24-10)12-19-14(23-20-12)15(16,17)18/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyPVGGCOATYMAMEI-UHFFFAOYSA-N
XLogP3.96
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N'-propan-2-yl-N'-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]oxamide
CID 142423267
2-methyl-N-propan-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]butanamide
CID 142423333
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-methyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]acetamide
CID 142423214
N-cyclopropyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]oxolane-2-carboxamide
CID 142423258
N,2-dimethoxy-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide
CID 142423273
N'-methyl-N'-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]oxamide
CID 146662686
N-methoxy-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]methanesulfonamide
CID 142423341
2-methyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropane-1-carboxamide
CID 142423263
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-methyl-3-prop-2-enyl-1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]urea
CID 142423213

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-propan-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide (CID 142423345) is N-propan-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-propan-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-propan-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide is CC(C)N(Cc1ccc(-c2noc(C(F)(F)F)n2)s1)C(=O)C1CC1.
What is the InChIKey of N-propan-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide?
The InChIKey is PVGGCOATYMAMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2S/c1-8(2)21(13(22)9-3-4-9)7-10-5-6-11(24-10)12-19-14(23-20-12)15(16,17)18/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of N-propan-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide?
N-propan-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide has a molecular weight of 359.37 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 142423345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).