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

C13H14F3N3OS — CID 75434573

IUPACN-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclobutanamine
SMILESFC(F)(F)CN(Cc1nnc(-c2cccs2)o1)C1CCC1
InChIInChI=1S/C13H14F3N3OS/c14-13(15,16)8-19(9-3-1-4-9)7-11-17-18-12(20-11)10-5-2-6-21-10/h2,5-6,9H,1,3-4,7-8H2
InChIKeyQHZHGGIQKALREG-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.71
Rot. Bonds5

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

N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclobutanamine (PubChem CID 75434573) has the molecular formula C13H14F3N3OS and a molecular weight of 317.34 g/mol. Its IUPAC name is N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclobutanamine.

Molecular Properties

Compound NameN-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclobutanamine
PubChem CID75434573
Molecular FormulaC13H14F3N3OS
Molecular Weight317.34 g/mol
Exact Mass317.08
IUPAC NameN-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclobutanamine
SMILESFC(F)(F)CN(Cc1nnc(-c2cccs2)o1)C1CCC1
InChIInChI=1S/C13H14F3N3OS/c14-13(15,16)8-19(9-3-1-4-9)7-11-17-18-12(20-11)10-5-2-6-21-10/h2,5-6,9H,1,3-4,7-8H2
InChIKeyQHZHGGIQKALREG-UHFFFAOYSA-N
XLogP3.71
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclobutanamine?
The IUPAC name of N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclobutanamine (CID 75434573) is N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclobutanamine.
What is the SMILES notation for N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclobutanamine?
The canonical SMILES for N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclobutanamine is FC(F)(F)CN(Cc1nnc(-c2cccs2)o1)C1CCC1.
What is the InChIKey of N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclobutanamine?
The InChIKey is QHZHGGIQKALREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3OS/c14-13(15,16)8-19(9-3-1-4-9)7-11-17-18-12(20-11)10-5-2-6-21-10/h2,5-6,9H,1,3-4,7-8H2.
What are the key properties of N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclobutanamine?
N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclobutanamine has a molecular weight of 317.34 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclobutanamine is sourced from PubChem (CID 75434573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).