2-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine

C11H16F3N3OS — CID 79798587

IUPAC2-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine
SMILESCC(N)(c1nc(CSC2CCCC2)no1)C(F)(F)F
InChIInChI=1S/C11H16F3N3OS/c1-10(15,11(12,13)14)9-16-8(17-18-9)6-19-7-4-2-3-5-7/h7H,2-6,15H2,1H3
InChIKeyGLGBCILKSHKMPQ-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.98
Rot. Bonds4

About 2-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine

2-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine (PubChem CID 79798587) has the molecular formula C11H16F3N3OS and a molecular weight of 295.33 g/mol. Its IUPAC name is 2-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine.

Molecular Properties

Compound Name2-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine
PubChem CID79798587
Molecular FormulaC11H16F3N3OS
Molecular Weight295.33 g/mol
Exact Mass295.10
IUPAC Name2-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine
SMILESCC(N)(c1nc(CSC2CCCC2)no1)C(F)(F)F
InChIInChI=1S/C11H16F3N3OS/c1-10(15,11(12,13)14)9-16-8(17-18-9)6-19-7-4-2-3-5-7/h7H,2-6,15H2,1H3
InChIKeyGLGBCILKSHKMPQ-UHFFFAOYSA-N
XLogP2.98
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine?
The IUPAC name of 2-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine (CID 79798587) is 2-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine.
What is the SMILES notation for 2-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine?
The canonical SMILES for 2-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine is CC(N)(c1nc(CSC2CCCC2)no1)C(F)(F)F.
What is the InChIKey of 2-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine?
The InChIKey is GLGBCILKSHKMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3OS/c1-10(15,11(12,13)14)9-16-8(17-18-9)6-19-7-4-2-3-5-7/h7H,2-6,15H2,1H3.
What are the key properties of 2-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine?
2-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine has a molecular weight of 295.33 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine is sourced from PubChem (CID 79798587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).