2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide

C15H18F3N5O3S — CID 8690051

IUPAC2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESCCCN(CC(=O)NC(=O)NCC(F)(F)F)Cc1nnc(-c2cccs2)o1
InChIInChI=1S/C15H18F3N5O3S/c1-2-5-23(7-11(24)20-14(25)19-9-15(16,17)18)8-12-21-22-13(26-12)10-4-3-6-27-10/h3-4,6H,2,5,7-9H2,1H3,(H2,19,20,24,25)
InChIKeyBUDDDKMCLOOWIX-UHFFFAOYSA-N
MW405.40 g/mol
LogP2.40
Rot. Bonds8

About 2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide

2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (PubChem CID 8690051) has the molecular formula C15H18F3N5O3S and a molecular weight of 405.40 g/mol. Its IUPAC name is 2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
PubChem CID8690051
Molecular FormulaC15H18F3N5O3S
Molecular Weight405.40 g/mol
Exact Mass405.11
IUPAC Name2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESCCCN(CC(=O)NC(=O)NCC(F)(F)F)Cc1nnc(-c2cccs2)o1
InChIInChI=1S/C15H18F3N5O3S/c1-2-5-23(7-11(24)20-14(25)19-9-15(16,17)18)8-12-21-22-13(26-12)10-4-3-6-27-10/h3-4,6H,2,5,7-9H2,1H3,(H2,19,20,24,25)
InChIKeyBUDDDKMCLOOWIX-UHFFFAOYSA-N
XLogP2.40
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The IUPAC name of 2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (CID 8690051) is 2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The canonical SMILES for 2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is CCCN(CC(=O)NC(=O)NCC(F)(F)F)Cc1nnc(-c2cccs2)o1.
What is the InChIKey of 2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The InChIKey is BUDDDKMCLOOWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O3S/c1-2-5-23(7-11(24)20-14(25)19-9-15(16,17)18)8-12-21-22-13(26-12)10-4-3-6-27-10/h3-4,6H,2,5,7-9H2,1H3,(H2,19,20,24,25).
What are the key properties of 2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide has a molecular weight of 405.40 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is sourced from PubChem (CID 8690051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).