N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide

C18H17F3N4O2S — CID 55672045

IUPACN-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCN(C)c1ccc(NC(=O)CCc2nnc(-c3ccsc3)o2)c(C(F)(F)F)c1
InChIInChI=1S/C18H17F3N4O2S/c1-25(2)12-3-4-14(13(9-12)18(19,20)21)22-15(26)5-6-16-23-24-17(27-16)11-7-8-28-10-11/h3-4,7-10H,5-6H2,1-2H3,(H,22,26)
InChIKeyNWBQDVDVFZGLJJ-UHFFFAOYSA-N
MW410.42 g/mol
LogP4.45
Rot. Bonds6

About N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide

N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 55672045) has the molecular formula C18H17F3N4O2S and a molecular weight of 410.42 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID55672045
Molecular FormulaC18H17F3N4O2S
Molecular Weight410.42 g/mol
Exact Mass410.10
IUPAC NameN-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCN(C)c1ccc(NC(=O)CCc2nnc(-c3ccsc3)o2)c(C(F)(F)F)c1
InChIInChI=1S/C18H17F3N4O2S/c1-25(2)12-3-4-14(13(9-12)18(19,20)21)22-15(26)5-6-16-23-24-17(27-16)11-7-8-28-10-11/h3-4,7-10H,5-6H2,1-2H3,(H,22,26)
InChIKeyNWBQDVDVFZGLJJ-UHFFFAOYSA-N
XLogP4.45
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide
CID 46426254
N-(3-acetamido-4-fluorophenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38019003
2-[4-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 30708181
4-methoxy-3-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide
CID 55783038
methyl 2-[3-methyl-4-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]phenoxy]acetate
CID 55915985
N-(4-propan-2-ylphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38012862
N-[(2R)-3-methylbutan-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 51886384
N-(4-methoxy-2-pyridinyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 75434520
N-[(4-methylphenyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38039853
N-[2-oxo-2-(propylamino)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38020884
N-[5-chloro-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]phenyl]furan-2-carboxamide
CID 55934136
N-[4-(dimethylamino)phenyl]-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334085

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (CID 55672045) is N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is CN(C)c1ccc(NC(=O)CCc2nnc(-c3ccsc3)o2)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is NWBQDVDVFZGLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O2S/c1-25(2)12-3-4-14(13(9-12)18(19,20)21)22-15(26)5-6-16-23-24-17(27-16)11-7-8-28-10-11/h3-4,7-10H,5-6H2,1-2H3,(H,22,26).
What are the key properties of N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 410.42 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 55672045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).