N-methyl-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

C17H14F3N3O3S — CID 30776019

IUPACN-methyl-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cn1nc(-c2cccs2)oc1=O
InChIInChI=1S/C17H14F3N3O3S/c1-22(9-11-4-6-12(7-5-11)17(18,19)20)14(24)10-23-16(25)26-15(21-23)13-3-2-8-27-13/h2-8H,9-10H2,1H3
InChIKeyGFZRZKHVXBWJGW-UHFFFAOYSA-N
MW397.38 g/mol
LogP3.24
Rot. Bonds5

About N-methyl-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

N-methyl-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 30776019) has the molecular formula C17H14F3N3O3S and a molecular weight of 397.38 g/mol. Its IUPAC name is N-methyl-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID30776019
Molecular FormulaC17H14F3N3O3S
Molecular Weight397.38 g/mol
Exact Mass397.07
IUPAC NameN-methyl-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cn1nc(-c2cccs2)oc1=O
InChIInChI=1S/C17H14F3N3O3S/c1-22(9-11-4-6-12(7-5-11)17(18,19)20)14(24)10-23-16(25)26-15(21-23)13-3-2-8-27-13/h2-8H,9-10H2,1H3
InChIKeyGFZRZKHVXBWJGW-UHFFFAOYSA-N
XLogP3.24
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.38
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of N-methyl-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (CID 30776019) is N-methyl-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for N-methyl-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for N-methyl-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is CN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cn1nc(-c2cccs2)oc1=O.
What is the InChIKey of N-methyl-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is GFZRZKHVXBWJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O3S/c1-22(9-11-4-6-12(7-5-11)17(18,19)20)14(24)10-23-16(25)26-15(21-23)13-3-2-8-27-13/h2-8H,9-10H2,1H3.
What are the key properties of N-methyl-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
N-methyl-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 397.38 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 30776019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).