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

C14H17F3N4O2S — CID 9371928

IUPAC2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCN(CC(=O)NCC(F)(F)F)Cc1nnc(-c2cccs2)o1
InChIInChI=1S/C14H17F3N4O2S/c1-2-5-21(7-11(22)18-9-14(15,16)17)8-12-19-20-13(23-12)10-4-3-6-24-10/h3-4,6H,2,5,7-9H2,1H3,(H,18,22)
InChIKeyUCJYFDQXDTYNIB-UHFFFAOYSA-N
MW362.38 g/mol
LogP2.69
Rot. Bonds8

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

2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 9371928) has the molecular formula C14H17F3N4O2S and a molecular weight of 362.38 g/mol. Its IUPAC name is 2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID9371928
Molecular FormulaC14H17F3N4O2S
Molecular Weight362.38 g/mol
Exact Mass362.10
IUPAC Name2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCN(CC(=O)NCC(F)(F)F)Cc1nnc(-c2cccs2)o1
InChIInChI=1S/C14H17F3N4O2S/c1-2-5-21(7-11(22)18-9-14(15,16)17)8-12-19-20-13(23-12)10-4-3-6-24-10/h3-4,6H,2,5,7-9H2,1H3,(H,18,22)
InChIKeyUCJYFDQXDTYNIB-UHFFFAOYSA-N
XLogP2.69
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-trifluoroethyl)acetamide?
The IUPAC name of 2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 9371928) is 2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2,2,2-trifluoroethyl)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-trifluoroethyl)acetamide?
The canonical SMILES for 2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide is CCCN(CC(=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-trifluoroethyl)acetamide?
The InChIKey is UCJYFDQXDTYNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O2S/c1-2-5-21(7-11(22)18-9-14(15,16)17)8-12-19-20-13(23-12)10-4-3-6-24-10/h3-4,6H,2,5,7-9H2,1H3,(H,18,22).
What are the key properties of 2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 362.38 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 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-trifluoroethyl)acetamide is sourced from PubChem (CID 9371928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).