5-[(2R)-oxolan-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine

C14H14F3N3O2 — CID 99820636

IUPAC5-[(2R)-oxolan-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine
SMILESFC(F)(F)c1cccc(CNc2nnc([C@H]3CCCO3)o2)c1
InChIInChI=1S/C14H14F3N3O2/c15-14(16,17)10-4-1-3-9(7-10)8-18-13-20-19-12(22-13)11-5-2-6-21-11/h1,3-4,7,11H,2,5-6,8H2,(H,18,20)/t11-/m1/s1
InChIKeySHPPXAYTAWEEHU-LLVKDONJSA-N
MW313.28 g/mol
LogP3.55
Rot. Bonds4

About 5-[(2R)-oxolan-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine

5-[(2R)-oxolan-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 99820636) has the molecular formula C14H14F3N3O2 and a molecular weight of 313.28 g/mol. Its IUPAC name is 5-[(2R)-oxolan-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(2R)-oxolan-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine
PubChem CID99820636
Molecular FormulaC14H14F3N3O2
Molecular Weight313.28 g/mol
Exact Mass313.10
IUPAC Name5-[(2R)-oxolan-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine
SMILESFC(F)(F)c1cccc(CNc2nnc([C@H]3CCCO3)o2)c1
InChIInChI=1S/C14H14F3N3O2/c15-14(16,17)10-4-1-3-9(7-10)8-18-13-20-19-12(22-13)11-5-2-6-21-11/h1,3-4,7,11H,2,5-6,8H2,(H,18,20)/t11-/m1/s1
InChIKeySHPPXAYTAWEEHU-LLVKDONJSA-N
XLogP3.55
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(2R)-oxolan-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-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 5-[(2R)-oxolan-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(2R)-oxolan-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine (CID 99820636) is 5-[(2R)-oxolan-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(2R)-oxolan-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(2R)-oxolan-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine is FC(F)(F)c1cccc(CNc2nnc([C@H]3CCCO3)o2)c1.
What is the InChIKey of 5-[(2R)-oxolan-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is SHPPXAYTAWEEHU-LLVKDONJSA-N. The full InChI is InChI=1S/C14H14F3N3O2/c15-14(16,17)10-4-1-3-9(7-10)8-18-13-20-19-12(22-13)11-5-2-6-21-11/h1,3-4,7,11H,2,5-6,8H2,(H,18,20)/t11-/m1/s1.
What are the key properties of 5-[(2R)-oxolan-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine?
5-[(2R)-oxolan-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 313.28 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-oxolan-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 99820636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).