N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide

C10H13F3N4O3 — CID 103209774

IUPACN-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)Nc1nnc(C2CCCN2)o1
InChIInChI=1S/C10H13F3N4O3/c11-10(12,13)5-19-4-7(18)15-9-17-16-8(20-9)6-2-1-3-14-6/h6,14H,1-5H2,(H,15,17,18)
InChIKeyZMTUBOFONDDOMW-UHFFFAOYSA-N
MW294.23 g/mol
LogP1.01
Rot. Bonds5

About N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103209774) has the molecular formula C10H13F3N4O3 and a molecular weight of 294.23 g/mol. Its IUPAC name is N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103209774
Molecular FormulaC10H13F3N4O3
Molecular Weight294.23 g/mol
Exact Mass294.09
IUPAC NameN-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)Nc1nnc(C2CCCN2)o1
InChIInChI=1S/C10H13F3N4O3/c11-10(12,13)5-19-4-7(18)15-9-17-16-8(20-9)6-2-1-3-14-6/h6,14H,1-5H2,(H,15,17,18)
InChIKeyZMTUBOFONDDOMW-UHFFFAOYSA-N
XLogP1.01
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103209774) is N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide is O=C(COCC(F)(F)F)Nc1nnc(C2CCCN2)o1.
What is the InChIKey of N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is ZMTUBOFONDDOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O3/c11-10(12,13)5-19-4-7(18)15-9-17-16-8(20-9)6-2-1-3-14-6/h6,14H,1-5H2,(H,15,17,18).
What are the key properties of N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 294.23 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103209774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).